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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International Journal of Quantum Chemistry
Journal Prestige (SJR): 1.003
Citation Impact (citeScore): 3
Number of Followers: 5  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 0020-7608 - ISSN (Online) 1097-461X
Published by John Wiley and Sons Homepage  [1763 journals]
  • Molecular structural characterization of superphenalene and
           supertriphenylene

    • Free pre-print version: Loading...

      Authors: M. Radhakrishnan; Savari Prabhu, Micheal Arockiaraj, M. Arulperumjothi
      Abstract: International Journal of Quantum Chemistry, Volume 122, Issue 2, January 15, 2022.
      PubDate: 2021-12-07T11:33:21-08:00
      DOI: 10.1002/qua.26818
      Issue No: Vol. 122, No. 2 (2021)
       
  • Controlling molecular orientation by laser pulses with two different
           envelope shapes

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      Authors: Meiqi Guo; Min Zhou, Shuo Chai, Jie Yu
      Abstract: International Journal of Quantum Chemistry, Volume 122, Issue 2, January 15, 2022.
      PubDate: 2021-12-07T11:33:21-08:00
      DOI: 10.1002/qua.26830
      Issue No: Vol. 122, No. 2 (2021)
       
  • Issue Information

    • Free pre-print version: Loading...

      Abstract: International Journal of Quantum Chemistry, Volume 122, Issue 2, January 15, 2022.
      PubDate: 2021-12-07T11:33:21-08:00
      DOI: 10.1002/qua.26693
      Issue No: Vol. 122, No. 2 (2021)
       
  • The reaction path of cyclooctatetraene dimerization revisited

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      Authors: Lázaro A. M. Castanedo; Chérif F. Matta, Kai E. O. Ylijoki
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-10T11:06:02-08:00
      DOI: 10.1002/qua.26866
       
  • The mechanism of sugar produced from simple glycolaldehyde derivative at
           ambient conditions

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      Authors: Yanliang Zhao; Honglei Wang, Naiwei Wu, Junxia Yang, Jikai Sun, Dong Zhai, Weiqiao Deng
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-08T02:59:29-08:00
      DOI: 10.1002/qua.26865
       
  • Exploiting the nearsightedness principle within the framework of the
           anti‐Hermitian contracted Schrödinger equation

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      Authors: Eduardo M. Honoré; Elías Ríos, Diego R. Alcoba, Gustavo E. Massaccesi, Alicia Torre, Luis Lain, Ofelia B. Oña
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-07T11:55:23-08:00
      DOI: 10.1002/qua.26862
       
  • Theoretical study on the thermal dissociation of FOX‐7 promoted by
           NO2

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      Authors: Qiong Zhu; Panwang Zhou, Jianyong Liu, Shuhui Yin
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-07T09:50:32-08:00
      DOI: 10.1002/qua.26864
       
  • Li4EPc: A metallo‐organic electride comprising metal‐nitrogen
           bonds

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      Authors: Arpita Poddar; Pratim Kumar Chattaraj
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-07T05:08:24-08:00
      DOI: 10.1002/qua.26856
       
  • Relating vibrational energy with Kekulé‐ and
           Clar‐structure‐based parameters

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      Authors: Slavko Radenković; Izudin Redžepović, Slađana Đorđević, Boris Furtula, Niko Tratnik, Petra Žigert Pleteršek
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-07T04:52:37-08:00
      DOI: 10.1002/qua.26867
       
  • Ability of B12N12 fullerene like nano‐cage for sensing and improving the
           antioxidant activity of juglone and its derivative: Density functional
           theory investigation

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      Authors: Vincent de Paul Zoua; Aymard Didier Tamafo Fouegue, Désiré Bikélé Mama, Julius Numbonui Ghogomu, Rahman Abdoul Ntieche
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-06T12:06:31-08:00
      DOI: 10.1002/qua.26843
       
  • Deformations of cyclodextrins and their influence to form inclusion
           compounds

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      Authors: Joanatan‐Michael Bautista‐Renedo; Raymundo Hernández‐Esparza, Erick Cuevas‐Yañez, Horacio Reyes‐Pérez, Rubicelia Vargas, Jorge Garza, Nelly González‐Rivas
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-06T07:01:24-08:00
      DOI: 10.1002/qua.26859
       
  • Two projector triple products in quantum crystallography

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      Authors: Chérif F. Matta; Lou Massa
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-04T03:54:22-08:00
      DOI: 10.1002/qua.26838
       
  • On computation of entropy measures for phthalocyanines and porphyrins
           dendrimers

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      Authors: Shazia Manzoor; Muhammad Kamran Siddiqui, Sarfraz Ahmad
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-03T08:27:30-08:00
      DOI: 10.1002/qua.26854
       
  • Algebraic and complexity‐like properties of Jacobi polynomials: Degree
           and parameter asymptotics

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      Authors: Nahual Sobrino; Jesus S.‐Dehesa
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-12-01T03:10:56-08:00
      DOI: 10.1002/qua.26858
       
  • State preparation and evolution in quantum computing: A perspective from
           Hamiltonian moments

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      Authors: Joseph C. Aulicino; Trevor Keen, Bo Peng
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-30T06:46:59-08:00
      DOI: 10.1002/qua.26853
       
  • Elucidating the effect of Vx doped LaFe1−xO3 for advanced optical,
           spintronic, and thermoelectric devices

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      Authors: A. A. Mubarak; Saad Tariq, B. O. Alsobhi, Farida Hamioud, Ayash O. Alrashdi
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-29T10:33:50-08:00
      DOI: 10.1002/qua.26850
       
  • Reactivity of short radicals at the initial stages of radical
           polymerization of allyl chloride: Chain growth versus addition to
           fullerene

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      Authors: Diana R. Diniakhmetova; Rosa Kh. Yumagulova, Sergey V. Kolesov
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-27T11:14:46-08:00
      DOI: 10.1002/qua.26852
       
  • Quantitative structure–property relationship of Ev‐degree and
           Ve‐degree based topological indices with physico‐chemical properties
           of benzene derivatives and application

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      Authors: Abdul Rauf; Muhammad Naeem, Saira Usman Bukhari
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-20T10:14:59-08:00
      DOI: 10.1002/qua.26851
       
  • Computing and comparative analysis of topological invariants of
           Y‐junction carbon nanotubes

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      Authors: Muhammad Faisal Nadeem; Ayesha Shabbir
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-20T10:01:27-08:00
      DOI: 10.1002/qua.26847
       
  • Anharmonicity in compliance formalism: Potential constants and interaction
           coordinates

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      Authors: Dhivya Manogaran; Sadasivam Manogaran
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-20T04:40:34-08:00
      DOI: 10.1002/qua.26841
       
  • Stereo‐dependent dimerization, boiling points, diffusion coefficients,
           and dielectric constants of E/Z‐HFO‐1234ze

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      Authors: Xiaoyi Hu; Xiaojuan Yu, Hua Hou, Baoshan Wang
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-18T10:29:02-08:00
      DOI: 10.1002/qua.26848
       
  • Development of various methods to the investigation of the spectral
           properties and collision dynamics of H‐like ions taking place in dense
           and hot plasma environments

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      Authors: Zhan‐Bin Chen; Peng‐Fei Liu, Hua‐Yang Sun, Yue‐Ying Qi, Guo‐Peng Zhao, Xiao‐Zhi Shen, Li‐Guang Jiao, Kun Ma, Kai Wang, Xiang‐Dong Li
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-18T10:24:53-08:00
      DOI: 10.1002/qua.26842
       
  • Platinum(II)‐mediated disulfide/thiolate interconversion in organic
           disulfides: Density functional theory thermodynamic study

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      Authors: Alexander I. Petrov; Ilya D. Dergachev
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-18T09:55:37-08:00
      DOI: 10.1002/qua.26849
       
  • Thermal decomposition and fire‐extinguishing mechanism of CF3I: A
           combined theoretical and experimental study

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      Authors: Rourou Yu; Wenhao Hu, Xiao Zhang, Xingyu Wang, Zhaoyang Tan
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-18T09:50:48-08:00
      DOI: 10.1002/qua.26845
       
  • Investigating the magneto‐electronic, structural, mechanical, and
           thermodynamic properties of filled skutterudite NdRu4Sb12 and EuRu4Sb12: A
           first‐principles perspective

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      Authors: Pradeep Kumar; Shabir Ahmad Mir, Dinesh C. Gupta
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-18T09:49:25-08:00
      DOI: 10.1002/qua.26834
       
  • Formamidinium dopant effects on double perovskite Cs2AgBiBr6

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      Authors: Cai‐Rong Zhang; Hong Chen, Zi‐Jiang Liu, Mei‐Ling Zhang, Wei Wang, You‐Zhi Wu, Hong‐Shan Chen
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-17T10:35:24-08:00
      DOI: 10.1002/qua.26846
       
  • Quantitative structure–property relationship of edge weighted and
           degree‐based entropy of benzene derivatives

    • Free pre-print version: Loading...

      Authors: Abdul Rauf; Muhammad Naeem, Adnan Aslam
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-15T04:46:34-08:00
      DOI: 10.1002/qua.26839
       
  • Potential energy surface of the thiophene pentamer and non‐covalent
           interactions

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      Authors: Alhadji Malloum; Jeanet Conradie
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-12T02:15:35-08:00
      DOI: 10.1002/qua.26840
       
  • Density functional theory calculation for the electronic properties and
           quantum capacitance of pure and doped Zr2CO2 as electrode of
           supercapacitors

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      Authors: Shuo Xu; Shi‐Jie Wang, Wan‐Qi Sun, Xiao‐Hong Li, Hong‐Ling Cui
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-11T07:30:36-08:00
      DOI: 10.1002/qua.26844
       
  • Measuring peripherality extent in chemical graphs via graph operations

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      Authors: Mahdieh Azari; Nasrin Dehgardi
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-06T06:50:28-07:00
      DOI: 10.1002/qua.26835
       
  • Achievement and challenges of the Cuban Science, Technology, and
           Innovation System: A perspective on computational science

    • Free pre-print version: Loading...

      Authors: Jorge Gulín‐González
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-03T12:00:00-07:00
      DOI: 10.1002/qua.26837
       
  • Complex conductivity dependent surface plasmon polaritons at the interface
           of metal and silver silica nanocomposites

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      Authors: Kaleem Ullah; Bakht Amin Bacha, Umer Wahid, Arif Ullah, Muhammad Irfan
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-02T07:39:44-07:00
      DOI: 10.1002/qua.26831
       
  • Anisotropy in elasticity, sound velocity, thermal conductivity, and
           thermodynamics properties of dodecaboride Zr0.5Y0.5B12

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      Authors: Zhang Yongmei; Wang Furong, Wang Xiaona, Zhao Huifang, Zhang Xiuqing, Gao Yanqin
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-02T04:41:10-07:00
      DOI: 10.1002/qua.26836
       
  • Electronic and magnetic properties of one‐dimensional sandwich
           transition metal‐anthracene molecular wires

    • Free pre-print version: Loading...

      Authors: Guang Yang; Huiyang Zhang, Yijun Yang, Yudi Wang, Xinzi Xv, Xinli Zhao, Lijuan Meng, Xiaojing Yao, Xiuyun Zhang, Yongjun Liu
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-11-01T12:01:17-07:00
      DOI: 10.1002/qua.26832
       
  • Dipole transition‐matrix elements and oscillator strengths for the C4+
           doubly excited states with Coulomb and screened Coulomb (Debye–Hückel)
           potentials

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      Authors: Yang Wang; Baisi Wei, Sabyasachi Kar, Yew Kam Ho
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-29T05:19:40-07:00
      DOI: 10.1002/qua.26833
       
  • Computational insights into the multi‐Diels–Alder reactions of neutral
           C60 and its Li+ encapsulated analogue: A density functional theory study

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      Authors: Tamalika Ash; Soumadip Banerjee, Tanay Debnath, Abhijit K. Das
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-23T08:52:27-07:00
      DOI: 10.1002/qua.26824
       
  • Gourava descriptors of multi‐dimensional flat and stable
           tri‐hexagonal boron nanotubes

    • Free pre-print version: Loading...

      Authors: Hani Shaker; Mian Muhammad Zobair, Hafiz Muhammad Asif Mehmood, Mehar Ali Malik
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-21T04:34:02-07:00
      DOI: 10.1002/qua.26829
       
  • Topological index analysis of a class of networks analogous to alicyclic
           hydrocarbons and their derivatives

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      Authors: Jia‐Bao Liu; Xin‐Bei Peng, Sakander Hayat
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-19T07:22:05-07:00
      DOI: 10.1002/qua.26827
       
  • Calculation of lattice vibrational and thermal properties of cadmium
           sulfide nanocrystal and growth preference of cadmium sulfide powder during
           microwave‐hydrothermal process

    • Free pre-print version: Loading...

      Authors: Jia Fu; Su Chen, Xing Liu
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-16T07:24:42-07:00
      DOI: 10.1002/qua.26828
       
  • Discerning torquoselectivity in a series of cyclobutene ring‐opening
           reactions using quantum theory of atoms in molecules and stress tensor

    • Free pre-print version: Loading...

      Authors: Roya Momen; Alireza Azizi, Alejandro Morales‐Bayuelo, Mehdi Pazhoohesh, Xiaobo Ji
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-09T09:34:10-07:00
      DOI: 10.1002/qua.26826
       
  • New insight into the structural, mechanical, electronic, and thermodynamic
           properties of the monoclinic TMAl3‐type aluminides

    • Free pre-print version: Loading...

      Authors: Yong Pan
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-10-02T01:50:00-07:00
      DOI: 10.1002/qua.26825
       
  • On the inclusion of cusp effects in expectation values with explicitly
           correlated Gaussians

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      Authors: Péter Jeszenszki; Robbie T. Ireland, Dávid Ferenc, Edit Mátyus
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-09-23T09:00:59-07:00
      DOI: 10.1002/qua.26819
       
  • Compact representation of generalized molecular polarizabilities and
           efficient calculation of polarization energy in an arbitrary electric
           field

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      Authors: Krzysztof Wolinski; Peter Pulay
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-08-05T10:53:18-07:00
      DOI: 10.1002/qua.26792
       
  • Multilevel approach to the initial guess for self‐consistent field
           calculations

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      Authors: Bence Hégely; Mihály Kállay
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-07-30T11:50:09-07:00
      DOI: 10.1002/qua.26782
       
  • A basis set superposition error‐free second‐order perturbation theory
           from Hermitian chemical Hamiltonian approach self‐consistent field
           canonic orbitals

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      Authors: Pedro Salvador; István Mayer
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-07-26T11:34:54-07:00
      DOI: 10.1002/qua.26777
       
  • The strength of a chemical bond

    • Free pre-print version: Loading...

      Authors: Lili Zhao; Minna Zhi, Gernot Frenking
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-07-15T04:45:44-07:00
      DOI: 10.1002/qua.26773
       
  • The role of quantum chemistry in covalent inhibitor design

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      Authors: Levente M. Mihalovits; György G. Ferenczy, György M. Keserű
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-07-15T04:00:54-07:00
      DOI: 10.1002/qua.26768
       
  • The influence of cations on the dipole moments of neighboring polar
           molecules

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      Authors: Imre Bakó; Dániel Csókás, István Mayer, Szilvia Pothoczki, László Pusztai
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-06-29T03:48:46-07:00
      DOI: 10.1002/qua.26758
       
  • Topological aspects of cavity‐induced degeneracies in polyatomic
           molecules

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      Authors: Péter Badankó; Otabek Umarov, Csaba Fábri, Gábor J. Halász, Ágnes Vibók
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-06-14T06:50:00-07:00
      DOI: 10.1002/qua.26750
       
  • Isomerism in secondary bonded complexes: Do structural rules apply'

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      Authors: M. Esmail Alikhani; Bernard Silvi
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-05-29T08:38:19-07:00
      DOI: 10.1002/qua.26670
       
  • Fisher information and density functional theory

    • Free pre-print version: Loading...

      Authors: Ágnes Nagy
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-05-07T03:13:18-07:00
      DOI: 10.1002/qua.26679
       
  • A wavefunction model to chemical bonding

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      Authors: Gábor Náray‐Szabó; Paul G. Mezey
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-05-06T02:26:09-07:00
      DOI: 10.1002/qua.26686
       
  • Reverse engineering in quantum chemistry: How to reveal the fifth‐order
           off‐diagonal cusp in the one‐electron reduced density matrix without
           actually calculating it

    • Free pre-print version: Loading...

      Authors: Jerzy Cioslowski
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-03-30T03:15:34-07:00
      DOI: 10.1002/qua.26651
       
  • Investigating István Mayer's “improved” definitions of bond orders
           and free valence for correlated singlet‐state wave functions

    • Free pre-print version: Loading...

      Authors: David L. Cooper; Robert Ponec, Peter B. Karadakov
      Abstract: International Journal of Quantum Chemistry, EarlyView.
      PubDate: 2021-01-29T12:00:00-08:00
      DOI: 10.1002/qua.26612
       
 
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