JOURNAL ARTICLE published 1996 in Journal of Computational Chemistry

Authors: Irina V. Ionova

Coming Soon, Volume 37, Issue 14

JOURNAL ARTICLE published 30 May 2016 in Journal of Computational Chemistry

Density functional theory investigation of Cu(I)‐ and Cu(II)‐curcumin complexes

JOURNAL ARTICLE published February 2011 in Journal of Computational Chemistry

Authors: Matthew A. Addicoat | Gregory F. Metha | Tak W. Kee

An introduction to PASCAL for scientists, James W. Cooper (wiley‐interscience, New York, 1981)

JOURNAL ARTICLE published June 1982 in Journal of Computational Chemistry

Authors: Carl O. Trindle

Empirical penetration functions and two‐center electron repulsion integrals for semiempirical calculations of electronic structure

JOURNAL ARTICLE published June 1982 in Journal of Computational Chemistry

Authors: D. E. Parry | M. A. Whitehead

Theoretical auger electron spectra of polymers by density functional theory calculations using model dimers

JOURNAL ARTICLE published February 2002 in Journal of Computational Chemistry

Authors: Takao Otsuka | Seiji Koizumi | Kazunaka Endo | Hiroyuki Kawabe | Delano P. Chong

Comparison of the RHF, NDDO, and MOM molecular one‐electron expectation values calculated using minimum basis sets with Slater, Burns, Clementi, and BLMO exponents

JOURNAL ARTICLE published April 1984 in Journal of Computational Chemistry

Authors: G. D. Zeiss | M. A. Whitehead

JOURNAL ISSUE published December 1982 in Journal of Computational Chemistry

JOURNAL ISSUE published December 1981 in Journal of Computational Chemistry

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JOURNAL ARTICLE published 5 July 2015 in Journal of Computational Chemistry

General method for symmetry orbitals and tensors in electronic structure calculations

JOURNAL ARTICLE published February 1999 in Journal of Computational Chemistry

Authors: Taijin Zhou | Yirong Mo

Cover Image, Volume 37, Issue 29

JOURNAL ARTICLE published 5 November 2016 in Journal of Computational Chemistry

Quantum chemical study of the autoxidation of ascorbate

JOURNAL ARTICLE published July 2016 in Journal of Computational Chemistry

Research funded by Deutsche Forschungsgemeinschaft (CA 1390/1-1)

Authors: Nils Herrmann | Norah Heinz | Michael Dolg | Xiaoyan Cao

Comment on “Superposition of Waves or Densities: Which Is the Nature of Chemical Resonance?” [J. Comput. Chem. 2021, 42, 412–417]

JOURNAL ARTICLE published 15 July 2021 in Journal of Computational Chemistry

Authors: Frank Weinhold | Eric D. Glendening

JOURNAL ISSUE published 5 March 2021 in Journal of Computational Chemistry

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JOURNAL ARTICLE published 5 March 2021 in Journal of Computational Chemistry

Authors: Bartosz Błasiak | Joanna D. Bednarska | Marta Chołuj | Robert W. Góra | Wojciech Bartkowiak

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JOURNAL ARTICLE published 5 August 2021 in Journal of Computational Chemistry

JOURNAL ISSUE published 15 February 2021 in Journal of Computational Chemistry

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JOURNAL ARTICLE published 15 February 2021 in Journal of Computational Chemistry

Accelerating atomistic simulations of proteins using multiscale enhanced sampling with independent tempering

JOURNAL ARTICLE published 15 February 2021 in Journal of Computational Chemistry

Research funded by National Institute of General Medical Sciences (GM114300) | National Science Foundation (MCB 1817332)

Authors: Xiaorong Liu | Xiping Gong | Jianhan Chen