Subjects -> CHEMISTRY (Total: 928 journals)
    - ANALYTICAL CHEMISTRY (59 journals)
    - CHEMISTRY (661 journals)
    - CRYSTALLOGRAPHY (23 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (47 journals)
    - PHYSICAL CHEMISTRY (65 journals)

PHYSICAL CHEMISTRY (65 journals)

Showing 1 - 64 of 64 Journals sorted alphabetically
ACS Central Science     Open Access   (Followers: 9)
ACS Physical Chemistry Au     Open Access   (Followers: 7)
ACS Sensors     Hybrid Journal   (Followers: 7)
Acta Physico-Chimica Sinica     Free  
Advances in Image and Video Processing     Open Access   (Followers: 20)
Advances in Physical Chemistry     Open Access   (Followers: 13)
Annual Review of Physical Chemistry     Full-text available via subscription   (Followers: 14)
Applied Materials Today     Hybrid Journal   (Followers: 1)
Biophysical Chemistry     Hybrid Journal   (Followers: 8)
Catalysis, Structure & Reactivity     Open Access   (Followers: 2)
Chemical Physics     Hybrid Journal   (Followers: 18)
Chemical Physics Letters     Hybrid Journal   (Followers: 17)
Chemistry and Physics of Lipids     Hybrid Journal   (Followers: 2)
Chinese Journal of Chemical Physics     Hybrid Journal   (Followers: 1)
Colloids and Surfaces A: Physicochemical and Engineering Aspects     Hybrid Journal   (Followers: 6)
Current Physical Chemistry     Hybrid Journal   (Followers: 1)
Doklady Physical Chemistry     Hybrid Journal  
EPJ B - Condensed Matter and Complex Systems     Hybrid Journal   (Followers: 1)
EPJ E - Soft Matter and Biological Physics     Hybrid Journal   (Followers: 3)
Friction     Open Access   (Followers: 4)
Geochemistry, Geophysics, Geosystems     Full-text available via subscription   (Followers: 35)
Glass Physics and Chemistry     Hybrid Journal   (Followers: 1)
Handbook on the Physics and Chemistry of Rare Earths     Full-text available via subscription   (Followers: 2)
Indian Journal of Biochemistry and Biophysics (IJBB)     Open Access   (Followers: 3)
Indian Journal of Chemistry - Section A     Open Access   (Followers: 9)
International Journal of Polymeric Materials     Hybrid Journal   (Followers: 6)
International Journal of Quantum Chemistry     Hybrid Journal   (Followers: 5)
International Reviews in Physical Chemistry     Hybrid Journal   (Followers: 3)
Journal of Biophysical Chemistry     Open Access   (Followers: 3)
Journal of Chemical Physics     Hybrid Journal   (Followers: 36)
Journal of Chromatographic Science     Hybrid Journal   (Followers: 15)
Journal of Macromolecular Science, Part B: Physics     Hybrid Journal   (Followers: 2)
Journal of Physical and Chemical Reference Data     Hybrid Journal   (Followers: 4)
Journal of Physical Chemistry A     Hybrid Journal   (Followers: 28)
Journal of Physical Chemistry B     Hybrid Journal   (Followers: 48)
Journal of Physical Chemistry C     Hybrid Journal   (Followers: 36)
Journal of Physical Chemistry Letters     Hybrid Journal   (Followers: 26)
Journal of Physics and Chemistry of Solids     Hybrid Journal   (Followers: 3)
Journal of Quantum Chemistry     Open Access   (Followers: 1)
Journal of Radiation Research     Open Access   (Followers: 3)
Macromolecular Chemistry and Physics     Hybrid Journal   (Followers: 2)
Molecular Physics: An International Journal in the Field of Chemical Physics     Hybrid Journal   (Followers: 24)
Nature Communications     Open Access   (Followers: 323)
Open Journal of Physical Chemistry     Open Access  
Physical Chemistry     Open Access   (Followers: 2)
Physical Chemistry Chemical Physics     Hybrid Journal   (Followers: 29)
Physical Chemistry Research     Open Access   (Followers: 1)
Physical Review A     Full-text available via subscription   (Followers: 23)
Physical Review Accelerators and Beams     Open Access   (Followers: 3)
Physical Review B     Full-text available via subscription   (Followers: 33)
Physical Review D     Full-text available via subscription   (Followers: 11)
Physical Review E     Full-text available via subscription   (Followers: 41)
Physical Review Letters     Full-text available via subscription   (Followers: 133)
Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B     Full-text available via subscription  
Physics and Chemistry of Liquids: An International Journal     Hybrid Journal  
Physics and Chemistry of the Earth, Parts A/B/C     Hybrid Journal   (Followers: 10)
Plasma Processes and Polymers     Hybrid Journal   (Followers: 2)
Protection of Metals and Physical Chemistry of Surfaces     Hybrid Journal   (Followers: 15)
Revista Fuentes     Open Access  
Russian Journal of Physical Chemistry A, Focus on Chemistry     Hybrid Journal  
Russian Journal of Physical Chemistry B, Focus on Physics     Hybrid Journal  
Solid State Ionics     Hybrid Journal   (Followers: 5)
The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics     Hybrid Journal   (Followers: 29)
The European Physical Journal Special Topics     Hybrid Journal   (Followers: 1)
Similar Journals
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Molecular Physics: An International Journal in the Field of Chemical Physics
Journal Prestige (SJR): 0.68
Citation Impact (citeScore): 2
Number of Followers: 24  
 
Hybrid Journal Hybrid journal   * Containing 9 Open Access Open Access article(s) in this issue *
ISSN (Print) 0026-8976 - ISSN (Online) 1362-3028
Published by Taylor and Francis Homepage  [2648 journals]
  • Study of the 15N14N18O absorption bands in the 4200–6500 cm−1
           region

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      Authors: L.N. Sinitsa, V.I. Serdyukov, V.I. Perevalov
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-19T02:11:23Z
      DOI: 10.1080/00268976.2022.2078744
       
  • Global modelling of the observed line positions: Dunham coefficients for
           the ground state of 16OH molecule

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      Authors: O. N. Sulakshina, Yu. G. Borkov
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-18T05:21:03Z
      DOI: 10.1080/00268976.2022.2072408
       
  • Threshold-ion-pair-production spectroscopy of H2S and D2S
         This is an Open Access Article Open Access Article

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      Authors: C. Kreis, U. Hollenstein, F. Merkt
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-18T05:20:34Z
      DOI: 10.1080/00268976.2022.2071349
       
  • Rydberg states of ZnAr complex

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      Authors: Andrzej Kędziorski, J. Patrick Zobel, Marek Krośnicki, Jarosław Koperski
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-17T08:20:00Z
      DOI: 10.1080/00268976.2022.2073282
       
  • 3D-structure-attention graph neural network for crystals and materials

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      Authors: Xuanjie Lin, Hantong Jiang, Liquan Wang, Yongsheng Ren, Wenhui Ma, Shu Zhan
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-17T08:15:42Z
      DOI: 10.1080/00268976.2022.2077258
       
  • Vibronic mass computation for the EF–GK–H 1Σg+ manifold
           of molecular hydrogen

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      Authors: Edit Mátyus, Dávid Ferenc
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-13T11:29:07Z
      DOI: 10.1080/00268976.2022.2074905
       
  • Valence band structure of biaxial strained Germanium for hole transport
           calculation

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      Authors: Jian-Li Ma, Yu Zhang, Zhi-Fen Fu, He-Ming Zhang
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-12T05:15:52Z
      DOI: 10.1080/00268976.2022.2074561
       
  • Cation–π interaction of thallium (I) with [7]helicene: an experimental
           and theoretical study

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      Authors: Petr Vaňura, David Sýkora, Stanislav Böhm, Tereza Uhlíková
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-09T03:02:35Z
      DOI: 10.1080/00268976.2022.2072784
       
  • Benchmark calculations of the 3D Rydberg spectrum of beryllium

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      Authors: Monika Stanke, Ludwik Adamowicz
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-06T12:21:25Z
      DOI: 10.1080/00268976.2022.2073281
       
  • Testing the limitations of harmonic approximation in the determination of
           Raman intensities

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      Authors: Ankit Raj, Yen-Bang Chao, Henryk A. Witek
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-04T12:34:57Z
      DOI: 10.1080/00268976.2022.2069613
       
  • Stability and electronic properties of V-doped ruthenium nanoclusters and
           their adsorptive properties towards hydrogen sulphide and serine molecules
           

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      Authors: Meryem Derdare, Abdel-Ghani Boudjahem, Nedjoua Cheghib
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-05-02T02:35:37Z
      DOI: 10.1080/00268976.2022.2070088
       
  • Electron impact ionisation and other molecular processes for
           organoplatinum compounds

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      Authors: Rakesh Bhavsar, Yogesh Thakar, Minaxi Vinodkumar, Chetan Limbachiya
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-29T12:23:06Z
      DOI: 10.1080/00268976.2022.2070086
       
  • On the effect of local torsion on the electromechanical properties of
           armchair boron nitride nanoribbons

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      Authors: R. Sadeghi, M. Yaghobi, M. R. Niazian, M. A. Ramzanpour
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-29T12:22:08Z
      DOI: 10.1080/00268976.2022.2069054
       
  • Hydrogen molecule as seen in electron and positron scattering

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      Authors: G. P. Karwasz, M. Karawacki, F. Carelli, K. Fedus
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-29T12:18:18Z
      DOI: 10.1080/00268976.2022.2070087
       
  • On the derivations of the Debye–Hückel equations

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      Authors: Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-29T06:13:04Z
      DOI: 10.1080/00268976.2022.2064353
       
  • The Zeeman effect in CO+ observed with rotational action spectroscopy
         This is an Open Access Article Open Access Article

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      Authors: Aravindh N. Marimuthu, Kim Steenbakkers, Britta Redlich, Sandra Brünken
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-28T11:13:18Z
      DOI: 10.1080/00268976.2022.2067089
       
  • Vapour–liquid coexistence of natural phenolic monoterpenoid, thymol:
           comparison with structural isomer, carvacrol

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      Authors: Madakashira Harini, Suryadip Bhattacharjee, Jhumpa Adhikari
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-28T11:13:06Z
      DOI: 10.1080/00268976.2022.2067088
       
  • Two-particle coalescence conditions revisited

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      Authors: Jacek Karwowski, Andreas Savin
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-28T11:07:19Z
      DOI: 10.1080/00268976.2022.2069055
       
  • Probing the structural evolution, electronic and vibrational properties of
           magnesium clusters doped with sodium atom*

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      Authors: Guokun Xie, Sen Hao, Ningning Wang
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-28T11:06:34Z
      DOI: 10.1080/00268976.2022.2068459
       
  • A new intermediate Hamiltonian Fock-space coupled-cluster formalism for
           the three-valence sector

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      Authors: Leszek Meissner
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-26T07:14:56Z
      DOI: 10.1080/00268976.2022.2064355
       
  • Improvement of trapping performance of magnetic particles by magnetic
           multi-poles via Brownian dynamics simulations of magnetic rod-like
           particles in a Hagen-Poiseuille flow

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      Authors: Takeru Yamanouchi, Akira Satoh
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-26T07:09:09Z
      DOI: 10.1080/00268976.2022.2067503
       
  • CS2 And H2S adsorption studies on novel hex-star phosphorene nanosheet
           – a DFT perspective

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      Authors: V. Nagarajan, R. Chandiramouli
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-25T11:07:53Z
      DOI: 10.1080/00268976.2022.2066027
       
  • The regulation mechanism of the excited-state behaviour of
           3-Hydroxy-2-(1-ethyl-1H-pyrazol-3-yl)-4H-chromen-4-one fluorophore by
           solvent polarity: a computational study

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      Authors: Dapeng Yang, Yanshan Tian, Wenpeng Yang, Rui Zheng
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-25T11:07:42Z
      DOI: 10.1080/00268976.2022.2066580
       
  • Towards the analytic theory of potential energy curves for diatomic
           molecules: studying He2+ and LiH diatomics as illustration

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      Authors: Alexander V. Turbiner, Horacio Olivares-Pilón
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-21T11:55:00Z
      DOI: 10.1080/00268976.2022.2064784
       
  • Electron affinity of LiH-

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      Authors: Saeed Nasiri, Ludwik Adamowicz, Sergiy Bubin
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-21T11:50:23Z
      DOI: 10.1080/00268976.2022.2065375
       
  • Sub-percent accuracy for the intensity of a near-infrared water line at
           10,670 cm−1: experiment and analysis

         This is an Open Access Article Open Access Article

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      Authors: Tom M. Rubin, Marian Sarrazin, Nikolai F. Zobov, Jonathan Tennyson, Oleg L. Polyansky
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-13T10:31:48Z
      DOI: 10.1080/00268976.2022.2063769
       
  • Born–Oppenheimer potentials for Π, Δ, and Φ states of
           the hydrogen molecule

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      Authors: Michał Siłkowski, Krzysztof Pachucki
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-12T08:22:05Z
      DOI: 10.1080/00268976.2022.2062471
       
  • Impact of donor acidity on νC≡N and νO–H spectral shifts in
           O-H···N≡C H-bonded complexes between nitriles and alcohols: a
           combined IR spectroscopic and quantum chemical investigation

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      Authors: Binod Kumar Oram, Monu, Biman Bandyopadhyay
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-12T07:50:31Z
      DOI: 10.1080/00268976.2022.2061387
       
  • The magnetocaloric effect, thermo-magnetic and transport properties of LiH
           diatomic molecule

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      Authors: C. O. Edet, P. O. Amadi, E. B. Ettah, Norshamsuri Ali, Muhammad Asjad, A. N. Ikot
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-08T10:43:36Z
      DOI: 10.1080/00268976.2022.2059025
       
  • A Newtonian algorithm for constant pressure molecular dynamics with
           periodic boundary conditions

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      Authors: Noham Weinberg, Essex Edwards, Liam Huber, Zachary Sentell, Jacob Spooner
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-08T10:39:03Z
      DOI: 10.1080/00268976.2022.2060145
       
  • A study of the aromaticity of thia[7]circulene isomers

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      Authors: Yang Yang, Satewaerdi Helili, Ablikim Kerim
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-08T10:31:20Z
      DOI: 10.1080/00268976.2022.2060146
       
  • Transient uniform electron gases

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      Authors: Pierre-François Loos, Michael Seidl
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-08T10:28:09Z
      DOI: 10.1080/00268976.2022.2061388
       
  • Addressing strong correlation by approximate coupled-pair methods with
           active-space and full treatments of three-body clusters

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      Authors: Ilias Magoulas, Jun Shen, Piotr Piecuch
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-06T08:43:20Z
      DOI: 10.1080/00268976.2022.2057365
       
  • Molecular dynamics simulation study of heat transfer across solid–fluid
           interfaces in a simple model system

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      Authors: Sebastian Schmitt, Truong Vo, Martin P. Lautenschlaeger, Simon Stephan, Hans Hasse
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-05T11:45:32Z
      DOI: 10.1080/00268976.2022.2057364
       
  • Theoretical study of the mechanism of Te (g) + 3F2
           (g)→TeF6 (g)

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      Authors: Fatemeh Hosseini, Hassan Hadadzadeh, Hossein Farrokhpour, Hamidreza Jouypazadeh
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-04T12:09:31Z
      DOI: 10.1080/00268976.2022.2059411
       
  • The promotional role of Nd on the catalytic activity and hydrothermal
           stability of Cu-SAPO-18 catalyst for NH3-SCR reaction

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      Authors: Kaiwei Qin, Shujun Ming, Zhen Chen, Shoute Zhang, Ying Meng, Qin Wu, Ce Bian, Qian Liu, Lei Guo, Dan Li, Lei Pang, Tao Li
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-04T12:05:43Z
      DOI: 10.1080/00268976.2022.2059024
       
  • Effect of correlated hyperfine theory errors in the determination of
           rotational and vibrational transition frequencies in HD+

         This is an Open Access Article Open Access Article

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      Authors: J. C. J. Koelemeij
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-04-02T11:06:37Z
      DOI: 10.1080/00268976.2022.2058637
       
  • Double-Hard-Sphere perturbation theory: a perturbation theory that is less
           dependent on the value of the hard-sphere diameter

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      Authors: Thijs van Westen, Joachim Gross
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-31T12:37:37Z
      DOI: 10.1080/00268976.2022.2059410
       
  • Revealing the vibronic coupling effects in the size-dependent optical
           properties of cycloparaphenylene dications

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      Authors: Akhil Chakravarthy Kakarlamudi, Sai Vamsi Krishna Isukapalli, Sivaranjana Reddy Vennapusa
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-30T11:24:48Z
      DOI: 10.1080/00268976.2022.2055505
       
  • Pyrazolon-ditiocarbonic acid and dibromoalcanes – cyclic
           keto-ditioacetals formation vs. open chain products: A theoretical study

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      Authors: P. P. Zamora, R. Maurelia, K. Bieger
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-24T06:08:01Z
      DOI: 10.1080/00268976.2022.2052371
       
  • Appraisal of dispersion damping functions for the effective fragment
           potential method

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      Authors: Kevin Carter-Fenk, John M. Herbert
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-24T06:06:20Z
      DOI: 10.1080/00268976.2022.2055504
       
  • Local surface crystal structure fluctuation on Li, Na and Mg metal anodes
         This is an Open Access Article Open Access Article

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      Authors: Ingeborg Treu Røe, Sondre Kvalvåg Schnell
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-23T02:44:01Z
      DOI: 10.1080/00268976.2022.2053217
       
  • Synthesis and characterisation of formohydrazide derivatives as potential
           antimicrobial agents: molecular docking and DFT studies

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      Authors: S. Gunavathi, R. Venkateswaramoorthi, K. Arulvani, S. Bharanidharan
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-22T12:59:04Z
      DOI: 10.1080/00268976.2022.2053219
       
  • Influence of π-electron conjugation outside the aromatic ring on the
           methyl internal rotation of 4-methyl-5-vinylthiazole

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      Authors: Safa Khemissi, Martin Schwell, Isabelle Kleiner, Ha Vinh Lam Nguyen
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-22T02:09:38Z
      DOI: 10.1080/00268976.2022.2052372
       
  • Computation of global reactivity descriptors along the proton transfer
           co-ordinate of 9-Hydroxy-phenalen-1-one and
           6-Hydroxy-benzo[de]anthracen-7-one: a DFT-based comparative study

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      Authors: Rakesh Maity, Debkumar Mandal, Usha Mandal, Ajay Misra
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-21T06:47:53Z
      DOI: 10.1080/00268976.2022.2047236
       
  • Structure and dynamics of HD+ in the vicinity of the H+ + D and D+ + H
           dissociation thresholds: Feshbach resonances and the role of g/u-symmetry
           breaking

         This is an Open Access Article Open Access Article

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      Authors: Maximilian Beyer, Frédéric Merkt
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-21T06:44:25Z
      DOI: 10.1080/00268976.2022.2048108
       
  • Revising the performance of the Landau–Zener surface hopping on some
           typical one-dimensional nonadiabatic models

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      Authors: Xiang-Rui Ma, Jun Zhang, Yong-Chen Xiong, Wanghuai Zhou
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-19T11:44:31Z
      DOI: 10.1080/00268976.2022.2051761
       
  • A density functional theory study of the simplest adsorption forms of
           perfluorooctanoic and perfluorooctanesulphonic acids by graphene oxide and
           fluorinated graphene oxide*

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      Authors: Leonid Gorb, Mykola Ilchenko, Jerzy Leszczynski
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-19T11:05:07Z
      DOI: 10.1080/00268976.2022.2053218
       
  • Cavity ring down spectroscopy of water vapour near 750 nm: a test of the
           HITRAN2020 and W2020 line lists

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      Authors: S. Vasilchenko, S.N. Mikhailenko, A. Campargue
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-17T11:01:58Z
      DOI: 10.1080/00268976.2022.2051762
       
  • Nitrogen dioxide line shift coefficients induced by air pressure

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      Authors: N. N. Lavrentieva, A. S. Dudaryonok
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-17T10:44:52Z
      DOI: 10.1080/00268976.2022.2052370
       
  • Application of chromium-silicon cluster for selective removal of arsenic
           and sulfide from wastewater

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      Authors: Afshan Mohajeri, Sholeh Mahmoudi Dehkohneh
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-16T12:53:33Z
      DOI: 10.1080/00268976.2022.2050956
       
  • Partial-wave decomposition of the one-electron properties of the LiH
           molecule computed with explicitly correlated basis sets

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      Authors: Krzysztof Strasburger, Jerzy Cioslowski
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-14T02:39:16Z
      DOI: 10.1080/00268976.2022.2048107
       
  • Systematic study of phase transformation, wide-to-narrow electronic band
           transition and optical properties of barium zirconium Oxynitrate: Ab
           initio calculations

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      Authors: S. S. A. Gillani, Musaddaq Mukhtar, I. Zeba, M. Shakil, Tousif Hussain, Riaz Ahmad
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-14T02:29:04Z
      DOI: 10.1080/00268976.2022.2049386
       
  • Geometry, absorption and luminescence of small Ar clusters

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      Authors: Mukul Dhiman, Julie Douady, Benoit Gervais
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      Citation: Molecular Physics
      PubDate: 2022-03-14T02:27:29Z
      DOI: 10.1080/00268976.2022.2049905
       
  • Ultraprecise relative energies in the (2 0 0) vibrational band of H216O
         This is an Open Access Article Open Access Article

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      Authors: Meissa L. Diouf, Roland Tóbiás, Tom S. van der Schaaf, Frank M. J. Cozijn, Edcel J. Salumbides, Attila G. Császár, Wim Ubachs
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-14T02:27:12Z
      DOI: 10.1080/00268976.2022.2050430
       
  • Calculations of atomisation energy and singlet–triplet gap with
           iterative multireference configuration interaction

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      Authors: Jia-Qi Fan, Wen-Yan Zhang, Qing Ren, Feiwu Chen
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-10T06:48:01Z
      DOI: 10.1080/00268976.2022.2048109
       
  • On the size consistency problem for anti-symmetrised geminal power wave
           function ansatz

         This is an Open Access Article Open Access Article

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      Authors: L. K. Sørensen
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      Citation: Molecular Physics
      PubDate: 2022-03-09T01:50:39Z
      DOI: 10.1080/00268976.2022.2049385
       
  • Aharonov–Bohm (AB) flux and thermomagnetic properties of Hellmann plus
           screened Kratzer potential as applied to diatomic molecules using
           Nikiforov–Uvarov-Functional-Analysis (NUFA) method

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      Authors: I. B. Okon, C. A. Onate, E. Omugbe, U. S. Okorie, C. O. Edet, A. D. Antia, J. P. Araujo, C. N. Isonguyo, M. C. Onyeaju, E. S. William, R. Horchani, A. N. Ikot
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-04T05:57:12Z
      DOI: 10.1080/00268976.2022.2046295
       
  • Entropy characteristics in an electric double layer with off-centre charge
           ions. A statistical thermodynamics approach

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      Authors: Stanisław Lamperski, Lutful Bari Bhuiyan
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-03-04T05:52:45Z
      DOI: 10.1080/00268976.2022.2045374
       
  • Two-dimensional three-body dipole-quadrupole interactions

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      Citation: Molecular Physics
      PubDate: 2022-03-04T05:50:46Z
      DOI: 10.1080/00268976.2022.2049387
       
  • Configuration localised states from orthogonal polynomials for effective
           potentials in 3D systems vs. algebraic DVR approaches

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      Authors: M. Rodríguez-Arcos, M. Bermúdez-Montana, R. Lemus, J. M. Arias, J. Gómez-Camacho
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      Citation: Molecular Physics
      PubDate: 2022-03-03T06:18:23Z
      DOI: 10.1080/00268976.2022.2044082
       
  • Eigenvalues and thermal properties of the A1Σu+ state of sodium
           dimers

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      Authors: Ridha Horchani, Nidhal Sulaiman, Safa Al Shafii
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      Citation: Molecular Physics
      PubDate: 2022-03-03T06:09:57Z
      DOI: 10.1080/00268976.2022.2046194
       
  • Study of diffusion coefficients and molecular adsorption laws for the
           slit-hole coal model under the thermal-gas-liuid coupling effect with hot
           nitrogen injection

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      Authors: Weiqin Zuo, Wenji Jiang, YanWei Liu, Wenming Zhang
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-02-25T06:00:56Z
      DOI: 10.1080/00268976.2022.2042608
       
  • Adsorption of graphene oxide with cellulose acetate: insights from DFT

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      Authors: Haowen Zhang, Liyun Ding, Yumei Zhang, Tian Wu, Qin Li
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      Citation: Molecular Physics
      PubDate: 2022-02-24T05:49:30Z
      DOI: 10.1080/00268976.2022.2044083
       
  • Theoretical analysis on strontium-tellurium content dependencies of defect
           structures and spin Hamiltonian parameters for strontium-tellurium
           titanium borate glasses with V2O5 dopants

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      Authors: Hong-Fei Zhou, Hui-Ning Dong, Xu-Sheng Liu
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      Citation: Molecular Physics
      PubDate: 2022-02-24T05:27:09Z
      DOI: 10.1080/00268976.2022.2045375
       
  • Born–Oppenheimer potential energy curves of NaK from the optimised
           atomic basis sets

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      Authors: K. Bczek, P. Jasik, T. Kilich, J. E. Sienkiewicz
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      Citation: Molecular Physics
      PubDate: 2022-02-18T06:03:48Z
      DOI: 10.1080/00268976.2022.2040628
       
  • Quantitative structure–property relationship analysis of the
           spectrochemical series by employing electronic descriptors from DFT
           calculations

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      Authors: Deivi A. Oliveros R., Rubén A. Machado, José R. Mora
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      Citation: Molecular Physics
      PubDate: 2022-02-15T11:44:47Z
      DOI: 10.1080/00268976.2022.2040629
       
  • Nonrelativistic energy of tritium-containing hydrogen molecule
           isotopologues

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      Authors: Krzysztof Pachucki, Jacek Komasa
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-02-15T11:43:17Z
      DOI: 10.1080/00268976.2022.2040627
       
  • Boosting the OEP2-sc method with spin-component scaling

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      Authors: Sylwia Siecińska, Szymon Śmiga, Ireneusz Grabowski, Fabio Della Sala, Eduardo Fabiano
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      Citation: Molecular Physics
      PubDate: 2022-02-15T11:42:52Z
      DOI: 10.1080/00268976.2022.2037771
       
  • Quantum chemical study of structure, vibrational spectra and thermodynamic
           properties of molecular and ionic clusters existing in vapours over
           strontium dichloride

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      Authors: Sospeter Imani, Fortunatus Jacob
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      Citation: Molecular Physics
      PubDate: 2022-02-14T02:31:28Z
      DOI: 10.1080/00268976.2022.2037773
       
  • Quasi-two-dimensional Brownian dynamics simulations of the regime change
           in the aggregate structures of cubic haematite particles in a rotating
           magnetic field

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      Authors: Kazuya Okada, Akira Satoh
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      Citation: Molecular Physics
      PubDate: 2022-02-14T01:06:18Z
      DOI: 10.1080/00268976.2022.2038297
       
  • Reparametrised Pöschl–Teller oscillator and analytical molar entropy
           equation for diatomic molecules

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      Authors: E.S. Eyube
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      Citation: Molecular Physics
      PubDate: 2022-02-10T12:55:29Z
      DOI: 10.1080/00268976.2022.2037774
       
  • Water transport through a two-dimensional nanoporous material: is there a
           relationship between water flux and surface tension'

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      Authors: Nadia Ben-Cheik Mansour, Julia Paredes, Hengli Zhao, Anthony Szymczyk, Ezzedine Ferjani, Aziz Ghoufi
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      Citation: Molecular Physics
      PubDate: 2022-02-10T12:50:30Z
      DOI: 10.1080/00268976.2022.2038296
       
  • First-principles insight into the structural and optoelectronic properties
           of Sn- and Pb-based hybrid halide perovskites for photovoltaic
           applications

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      Authors: Tridip Chutia, Dhruba Jyoti Kalita
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      Citation: Molecular Physics
      PubDate: 2022-02-09T05:37:00Z
      DOI: 10.1080/00268976.2022.2037772
       
  • Adsorption of H2 and C2H2 onto Rh-decorated InN monolayer and the effect
           of applied electric field

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      Authors: Haiming Wang, Hailong Wu, Hao Cui
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      Citation: Molecular Physics
      PubDate: 2022-02-05T08:39:47Z
      DOI: 10.1080/00268976.2022.2027535
       
  • Structural characterisation of hydrolysed Cm(III)-EDTA solution species
           under alkaline conditions: a TRLFS, vibronic side-band and quantum
           chemical study

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      Authors: M. Trumm, A. Tasi, A. Schnurr, N. A. DiBlasi, X. Gaona
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      Citation: Molecular Physics
      PubDate: 2022-02-05T08:13:54Z
      DOI: 10.1080/00268976.2022.2033864
       
  • Structure and electronic properties of neutral and anionic boron clusters
           doped with two tantalum atoms

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      Authors: Xincheng Zhang, Yanfei Hu, Yuquan Yuan, Qingyang Li, Hongming Jiang, Jing Yang, Wei Lin, Hongbing Huang
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      Citation: Molecular Physics
      PubDate: 2022-02-01T08:44:07Z
      DOI: 10.1080/00268976.2022.2029964
       
  • Spin–orbit coupling matrix elements from the explicitly connected
           expressions of the response functions within the coupled-cluster theory

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      Authors: A. M. Tucholska, M. Lesiuk, R. Moszynski
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      Citation: Molecular Physics
      PubDate: 2022-01-31T05:42:08Z
      DOI: 10.1080/00268976.2022.2029965
       
  • Comparative study of cyclic polyaniline oligomers with linear and bent
           structures

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      Authors: Mehdi Zamani, Masoume Rezaei
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      Citation: Molecular Physics
      PubDate: 2022-01-25T12:17:24Z
      DOI: 10.1080/00268976.2022.2029966
       
  • Connecting effect on the charge transport and nonlinear optical properties
           of heteronanotubes

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      Authors: Akbar Omidvar, Tahereh Ghaed-Sharaf
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      Citation: Molecular Physics
      PubDate: 2022-01-24T11:05:27Z
      DOI: 10.1080/00268976.2022.2027032
       
  • On the choice of the effective diameter in the high-temperature expansion
           for the Lennard–Jones fluid

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      Authors: B. P. Akhouri, J. R. Solana
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      Citation: Molecular Physics
      PubDate: 2022-01-21T06:17:03Z
      DOI: 10.1080/00268976.2022.2028918
       
  • Study of the 71Π u state of sodium dimer by polarisation labelling
           spectroscopy

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      Authors: P. Kowalczyk, A. Grochola, W. Jastrzebski
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      Citation: Molecular Physics
      PubDate: 2022-01-20T06:34:26Z
      DOI: 10.1080/00268976.2022.2027536
       
  • Novel horizons of the conformationally-tautomeric transformations of the
           G·T base pairs: quantum-mechanical investigation

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      Authors: Ol’ha O. Brovarets’, Alona Muradova, Dmytro M. Hovorun
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-20T06:29:32Z
      DOI: 10.1080/00268976.2022.2026510
       
  • Optical–optical double resonance process in free-jet supersonic
           expansion of van der Waals molecules: characteristics of the expansion,
           number of excited molecules and emitted photons

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      Authors: Joanna Sobczuk, Tomasz Urbańczyk, Jarosław Koperski
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-20T06:00:40Z
      DOI: 10.1080/00268976.2021.2024614
       
  • Simulation study of ternary gas mixture transport properties and their
           gain in GEM detectors used for muon tracking

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      Authors: Badria Al Rashdia, Amr Radi, Abbasher Gismelseed, Ahmed Al Rawas
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      Citation: Molecular Physics
      PubDate: 2022-01-18T10:36:21Z
      DOI: 10.1080/00268976.2021.2025276
       
  • Regioselectivity, chemical bonding and physical nature of the interaction
           between imidazole and XAHs (X=H, F, Cl, Br, CH3, and A=S, Se, Te)

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      Authors: Bienfait Kabuyaya Isamura, Kevin Alan Lobb, Jules Tshishimbi Muya
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-17T06:15:48Z
      DOI: 10.1080/00268976.2022.2026511
       
  • Lutosław Wolniewicz (1930–2020)

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      Authors: Stanisław Dembiński, Jacek Karwowski, Józef Szudy, Trygve Helgaker
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-13T11:34:56Z
      DOI: 10.1080/00268976.2021.2024904
       
  • From green to near-infrared emission of cyclometalated Iridium (III)
           complexes modified with flavonoids: a theoretical insight

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      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-13T11:29:56Z
      DOI: 10.1080/00268976.2022.2026509
       
  • Stabilisation of Li(0)-Li(0) bond by normal and mesoionic carbenes and
           electride characteristics of the complexes

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      Authors: Prasenjit Das, Pratim Kumar Chattaraj
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-13T11:26:57Z
      DOI: 10.1080/00268976.2022.2026512
       
  • Improvement the energy conversion efficiency of organic dye-based solar
           cells by pioneer solvents

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      Authors: Faezeh Pakravesh, Mohammad Izadyar, Foroogh Arkan
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-13T11:26:19Z
      DOI: 10.1080/00268976.2022.2027033
       
  • Performance of Lambda functions in atomic Hartree-Fock calculations

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      Authors: Yasuyo Hatano, Shigeyoshi Yamamoto
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      Citation: Molecular Physics
      PubDate: 2022-01-13T11:23:29Z
      DOI: 10.1080/00268976.2022.2027534
       
  • Effect of doping and vacancy defect on the sensitivity of stanene toward
           HCN

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      Authors: Shumin Yan, Qingxiao Zhou, Weiwei Ju, Xiangyang Li
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-11T12:26:42Z
      DOI: 10.1080/00268976.2022.2025938
       
  • Edge-oxidation induced non-radiative recombination dynamics in graphene
           quantum dots: a theoretical insight from Fermi’s golden rule

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      Authors: Peng Cui, Yuan Xue
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2022-01-10T11:28:03Z
      DOI: 10.1080/00268976.2022.2025465
       
  • Precision measurement of quasi-bound resonances in H2 and the
           H + H scattering length

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      Authors: K.-F. Lai, E. J. Salumbides, M. Beyer, W. Ubachs
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-12-17T05:20:35Z
      DOI: 10.1080/00268976.2021.2018063
       
  • Electronic structure of trilayer graphene with internal layer broken

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      Authors: W. Jaskólski
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      Citation: Molecular Physics
      PubDate: 2021-12-08T02:07:48Z
      DOI: 10.1080/00268976.2021.2013554
       
  • The collaboration Wolniewicz–Dressler 1976–1994

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      Authors: Kurt Dressler
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-11-23T01:41:58Z
      DOI: 10.1080/00268976.2021.2007308
       
  • Controlled preparation and vibrational excitation of single ultracold
           molecular hydrogen ions

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      Authors: Christian Wellers, Magnus R. Schenkel, Gouri S. Giri, Kenneth R. Brown, Stephan Schiller
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-11-17T11:21:56Z
      DOI: 10.1080/00268976.2021.2001599
       
  • The 5.8 µm absorption bands for nitric acid (H14N16O3): line positions
           and intensities for the ν2 band at 1709.567 cm−1 and for its first
           associated hot bands (ν2+ν9−ν9, ν2+ν7−ν7, ν2+ν6−ν6)

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      Authors: A. Perrin, L. Manceron, R. Armante, F. Kwabia-Tchana, P. Roy, D. Doizi, G.C. Toon
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-11-13T12:06:56Z
      DOI: 10.1080/00268976.2021.1998931
       
  • Precise measurement of the D2 S1(0) vibrational transition frequency
         This is an Open Access Article Open Access Article

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      Authors: Arthur Fast, Samuel A. Meek
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-11-05T11:22:16Z
      DOI: 10.1080/00268976.2021.1999520
       
  • First analysis of the ν2+ν7 and ν2+ν9 and ν2+ν6 combination bands of
           HNO3: evidence of perturbations due to large amplitude OH torsion in the
           2191 excited state

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      Authors: A. Perrin, L. Manceron, R. Armante, F. Kwabia-Tchana, P. Roy, D. Doizi
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-10-13T11:53:08Z
      DOI: 10.1080/00268976.2021.1987543
       
  • The ν4 bands at 11 µm: linelists for the Trans- and Cis- conformer
           forms of nitrous acid (HONO) in the 2019 version of the GEISA database*

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      Authors: R. Armante, A. Perrin, F. Kwabia Tchana, L. Manceron
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-07-16T12:04:55Z
      DOI: 10.1080/00268976.2021.1951860
       
  • Accuracy of the equilibrium structure of sulphur dioxide*

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      Authors: Jean Demaison, Jacques Liévin
      Abstract: .

      Citation: Molecular Physics
      PubDate: 2021-07-07T04:23:54Z
      DOI: 10.1080/00268976.2021.1950857
       
 
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