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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 * Containing 9 Open Access article(s) in this issue *
ISSN (Print) 0026-8976 - ISSN (Online) 1362-3028
Published by Taylor and Francis

[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
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
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
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+
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
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
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  Authors: Maximilian Beyer, Frédéric Merkt
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  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
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  PubDate: 2022-03-19T11:44:31Z
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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
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  PubDate: 2022-03-19T11:05:07Z
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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
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  PubDate: 2022-03-17T11:01:58Z
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Nitrogen dioxide line shift coefficients induced by air pressure
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  Authors: N. N. Lavrentieva, A. S. Dudaryonok
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  Citation: Molecular Physics
  PubDate: 2022-03-17T10:44:52Z
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Application of chromium-silicon cluster for selective removal of arsenic
and sulfide from wastewater
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  Authors: Afshan Mohajeri, Sholeh Mahmoudi Dehkohneh
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  Citation: Molecular Physics
  PubDate: 2022-03-16T12:53:33Z
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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
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  Citation: Molecular Physics
  PubDate: 2022-03-14T02:39:16Z
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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
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  PubDate: 2022-03-14T02:29:04Z
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Geometry, absorption and luminescence of small Ar clusters
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  Authors: Mukul Dhiman, Julie Douady, Benoit Gervais
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Ultraprecise relative energies in the (2 0 0) vibrational band of H216O
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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
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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
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  PubDate: 2022-03-10T06:48:01Z
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On the size consistency problem for anti-symmetrised geminal power wave
function ansatz
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  Authors: L. K. Sørensen
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  PubDate: 2022-03-09T01:50:39Z
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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
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  PubDate: 2022-03-04T05:57:12Z
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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
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Two-dimensional three-body dipole-quadrupole interactions
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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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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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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
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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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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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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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Quantitative structure–property relationship analysis of the
spectrochemical series by employing electronic descriptors from DFT
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  Authors: Deivi A. Oliveros R., Rubén A. Machado, José R. Mora
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  PubDate: 2022-02-15T11:44:47Z
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Nonrelativistic energy of tritium-containing hydrogen molecule
isotopologues
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  Authors: Krzysztof Pachucki, Jacek Komasa
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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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  PubDate: 2022-02-15T11:42:52Z
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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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  PubDate: 2022-02-14T02:31:28Z
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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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  PubDate: 2022-02-14T01:06:18Z
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Reparametrised Pöschl–Teller oscillator and analytical molar entropy
equation for diatomic molecules
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  Authors: E.S. Eyube
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  PubDate: 2022-02-10T12:55:29Z
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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
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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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  PubDate: 2022-02-09T05:37:00Z
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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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  PubDate: 2022-02-05T08:39:47Z
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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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  PubDate: 2022-02-05T08:13:54Z
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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
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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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  PubDate: 2022-01-31T05:42:08Z
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Comparative study of cyclic polyaniline oligomers with linear and bent
structures
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  Authors: Mehdi Zamani, Masoume Rezaei
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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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  PubDate: 2022-01-24T11:05:27Z
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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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  PubDate: 2022-01-21T06:17:03Z
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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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  PubDate: 2022-01-20T06:34:26Z
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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
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  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
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  Citation: Molecular Physics
  PubDate: 2022-01-20T06:00:40Z
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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
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  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
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  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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  Authors: Thi Le Anh Nguyen, Duy Quang Dao
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  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
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  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
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  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
  Abstract: .
  
  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
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  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
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  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
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  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
Open Access Article
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  Authors: Arthur Fast, Samuel A. Meek
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  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
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  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
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  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