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Journal of Computational Chemistry
|
July 31, 2020
Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers
Denis Mashkovtsev, Wataru Mizukami, Jacek Korchowiec, et al.
Journal of Computational Chemistry
|
April 18, 2009
Elongation cutoff technique armed with quantum fast multipole method for linear scaling
Jacek Korchowiec, Jakub Lewandowski, Marcin Makowski, et al.
The Journal of Chemical Physics
|
May 27, 2009
Band structures built by the elongation method
Anna Pomogaeva, Michael Springborg, Bernard Kirtman, et al.
The Journal of Chemical Physics
|
November 20, 2004
A new localization scheme for the elongation method
Feng Long Gu, Yuriko Aoki, Jacek Korchowiec, et al.
The Journal of Physical Chemistry. A
|
May 12, 2006
Binary clusters AuPt and Au6Pt: structure and reactivity within density functional theory
Wei Quan Tian, Maofa Ge, Fenglong Gu, et al.
Chirality
|
December 6, 2002
Interpretation of enantioresolution in nordeoxycholic acid channels based on the four-location model
Kazuaki Kato, Yuriko Aoki, Michihiro Sugahara, et al.
The Journal of Chemical Physics
|
March 16, 2015
Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems
Yuuichi Orimoto, Ryohei Yamamoto, Peng Xie, et al.
Journal of Pharmaceutical and Biomedical Analysis
|
December 18, 2002
Novel strategy for molecular imprinting of phenolic compounds utilizing disulfide templates
Takashi Mukawa, Takeshi Goto, Hiroyuki Nariai, et al.
Journal of Molecular Modeling
|
June 1, 2014
Intermediate electrostatic field for the elongation method
Piotr Kuźniarowicz, Kai Liu, Yuriko Aoki, et al.
Journal of the American Chemical Society
|
January 26, 2006
Nonlinear optical properties of alkalides Li+(calix[4]pyrrole)M- (M = Li, Na, and K): alkali anion atomic number dependence
Wei Chen, Zhi-Ru Li, Di Wu, et al.
Page
of 7
Search research articles
Search
Showing results (41-50 of 61) with videos related to
Sort By:
Page
of 7
Journal of Computational Chemistry
|
July 31, 2020
Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers
Denis Mashkovtsev, Wataru Mizukami, Jacek Korchowiec, et al.
Journal of Computational Chemistry
|
April 18, 2009
Elongation cutoff technique armed with quantum fast multipole method for linear scaling
Jacek Korchowiec, Jakub Lewandowski, Marcin Makowski, et al.
The Journal of Chemical Physics
|
May 27, 2009
Band structures built by the elongation method
Anna Pomogaeva, Michael Springborg, Bernard Kirtman, et al.
The Journal of Chemical Physics
|
November 20, 2004
A new localization scheme for the elongation method
Feng Long Gu, Yuriko Aoki, Jacek Korchowiec, et al.
The Journal of Physical Chemistry. A
|
May 12, 2006
Binary clusters AuPt and Au6Pt: structure and reactivity within density functional theory
Wei Quan Tian, Maofa Ge, Fenglong Gu, et al.
Chirality
|
December 6, 2002
Interpretation of enantioresolution in nordeoxycholic acid channels based on the four-location model
Kazuaki Kato, Yuriko Aoki, Michihiro Sugahara, et al.
The Journal of Chemical Physics
|
March 16, 2015
Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems
Yuuichi Orimoto, Ryohei Yamamoto, Peng Xie, et al.
Journal of Pharmaceutical and Biomedical Analysis
|
December 18, 2002
Novel strategy for molecular imprinting of phenolic compounds utilizing disulfide templates
Takashi Mukawa, Takeshi Goto, Hiroyuki Nariai, et al.
Journal of Molecular Modeling
|
June 1, 2014
Intermediate electrostatic field for the elongation method
Piotr Kuźniarowicz, Kai Liu, Yuriko Aoki, et al.
Journal of the American Chemical Society
|
January 26, 2006
Nonlinear optical properties of alkalides Li+(calix[4]pyrrole)M- (M = Li, Na, and K): alkali anion atomic number dependence
Wei Chen, Zhi-Ru Li, Di Wu, et al.
Page
of 7