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Molecules (Basel, Switzerland)
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April 30, 2021
Zhang-Zhang Polynomials of Multiple Zigzag Chains Revisited: A Connection with the John-Sachs Theorem
Henryk A Witek
Nanomaterials (Basel, Switzerland)
|
January 22, 2024
Energy Decomposition Scheme for Rectangular Graphene Flakes
Hendra, Henryk A Witek
Journal of Computational Chemistry
|
September 18, 2004
Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method
Henryk A Witek, Keiji Morokuma
Molecules (Basel, Switzerland)
|
September 14, 2024
Kekulé Counts, Clar Numbers, and ZZ Polynomials for All Isomers of (5,6)-Fullerenes C<sub>52</sub>-C<sub>70</sub>
Henryk A Witek, Rafał Podeszwa
The Journal of Chemical Physics
|
January 7, 2009
Theoretical study of noble-gas containing metal halides
Chun-Hao Mou, Henryk A Witek
Journal of Chemical Theory and Computation
|
November 26, 2015
Choice of Optimal Shift Parameter for the Intruder State Removal Techniques in Multireference Perturbation Theory
Shu-Wei Chang, Henryk A Witek
The Journal of Chemical Physics
|
September 9, 2004
Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding method
Henryk A Witek, Stephan Irle, Keiji Morokuma
Journal of Computational Chemistry
|
July 18, 2003
Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems
Henryk A Witek, Haruyuki Nakano, Kimihiko Hirao
The Journal of Physical Chemistry. A
|
April 14, 2007
Comparison of geometric, electronic, and vibrational properties for isomers of small fullerenes C20-C36
Edyta Małolepsza, Henryk A Witek, Stephan Irle
Journal of Computational Chemistry
|
August 6, 2008
Intruder states in multireference perturbation theory: the ground state of manganese dimer
Cristopher Camacho, Henryk A Witek, Shigeyoshi Yamamoto
Page
of 6
Search research articles
Search
Showing results (1-10 of 54) with videos related to
Sort By:
Page
of 6
Molecules (Basel, Switzerland)
|
April 30, 2021
Zhang-Zhang Polynomials of Multiple Zigzag Chains Revisited: A Connection with the John-Sachs Theorem
Henryk A Witek
Nanomaterials (Basel, Switzerland)
|
January 22, 2024
Energy Decomposition Scheme for Rectangular Graphene Flakes
Hendra, Henryk A Witek
Journal of Computational Chemistry
|
September 18, 2004
Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method
Henryk A Witek, Keiji Morokuma
Molecules (Basel, Switzerland)
|
September 14, 2024
Kekulé Counts, Clar Numbers, and ZZ Polynomials for All Isomers of (5,6)-Fullerenes C<sub>52</sub>-C<sub>70</sub>
Henryk A Witek, Rafał Podeszwa
The Journal of Chemical Physics
|
January 7, 2009
Theoretical study of noble-gas containing metal halides
Chun-Hao Mou, Henryk A Witek
Journal of Chemical Theory and Computation
|
November 26, 2015
Choice of Optimal Shift Parameter for the Intruder State Removal Techniques in Multireference Perturbation Theory
Shu-Wei Chang, Henryk A Witek
The Journal of Chemical Physics
|
September 9, 2004
Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding method
Henryk A Witek, Stephan Irle, Keiji Morokuma
Journal of Computational Chemistry
|
July 18, 2003
Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems
Henryk A Witek, Haruyuki Nakano, Kimihiko Hirao
The Journal of Physical Chemistry. A
|
April 14, 2007
Comparison of geometric, electronic, and vibrational properties for isomers of small fullerenes C20-C36
Edyta Małolepsza, Henryk A Witek, Stephan Irle
Journal of Computational Chemistry
|
August 6, 2008
Intruder states in multireference perturbation theory: the ground state of manganese dimer
Cristopher Camacho, Henryk A Witek, Shigeyoshi Yamamoto
Page
of 6