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Journal of the American Chemical Society
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January 25, 2007
Hydrogenation of simple aromatic molecules: a computational study of the mechanism
George Zhong, Bun Chan, Leo Radom
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
Sorting drug conformers in enzyme active sites: the XTB way
Bun Chan, William Dawson, Takahito Nakajima
The Journal of Physical Chemistry. A
|
April 9, 2014
Effect of protonation state and interposed connector groups on bond dissociation enthalpies of alcohols and related systems
Michael Morris, Bun Chan, Leo Radom
The Journal of Physical Chemistry. A
|
December 11, 2012
Heteroatomic deprotonation of substituted methanes and methyl radicals: theoretical insights into structure, stability, and thermochemistry
Michael Morris, Bun Chan, Leo Radom
Journal of Computational Chemistry
|
September 19, 2018
The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method
Bun Chan, Yukio Kawashima, Kimihiko Hirao
Organic Letters
|
January 15, 2009
Low barrier hydrogenolysis of the carbon-heteroatom bond as catalyzed by HAlF(4)
George Zhong, Bun Chan, Leo Radom
Proceedings of the National Academy of Sciences of the United States of America
|
November 29, 2007
Specific subgroups of FruM neurons control sexually dimorphic patterns of aggression in Drosophila melanogaster
Yick-Bun Chan, Edward A Kravitz
Journal of Computational Chemistry
|
July 3, 2015
On the inclusion of post-MP2 contributions to double-hybrid density functionals
Bun Chan, Lars Goerigk, Leo Radom
Journal of Chemical Theory and Computation
|
November 26, 2015
G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2)
Bun Chan, Jia Deng, Leo Radom
The Journal of Chemical Physics
|
March 23, 2022
Higher-order transition state approximation
Takahito Nakajima, Kimihiko Hirao, Bun Chan
Page
of 29
Search research articles
Search
Showing results (51-60 of 288) with videos related to
Sort By:
Page
of 29
Journal of the American Chemical Society
|
January 25, 2007
Hydrogenation of simple aromatic molecules: a computational study of the mechanism
George Zhong, Bun Chan, Leo Radom
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
Sorting drug conformers in enzyme active sites: the XTB way
Bun Chan, William Dawson, Takahito Nakajima
The Journal of Physical Chemistry. A
|
April 9, 2014
Effect of protonation state and interposed connector groups on bond dissociation enthalpies of alcohols and related systems
Michael Morris, Bun Chan, Leo Radom
The Journal of Physical Chemistry. A
|
December 11, 2012
Heteroatomic deprotonation of substituted methanes and methyl radicals: theoretical insights into structure, stability, and thermochemistry
Michael Morris, Bun Chan, Leo Radom
Journal of Computational Chemistry
|
September 19, 2018
The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method
Bun Chan, Yukio Kawashima, Kimihiko Hirao
Organic Letters
|
January 15, 2009
Low barrier hydrogenolysis of the carbon-heteroatom bond as catalyzed by HAlF(4)
George Zhong, Bun Chan, Leo Radom
Proceedings of the National Academy of Sciences of the United States of America
|
November 29, 2007
Specific subgroups of FruM neurons control sexually dimorphic patterns of aggression in Drosophila melanogaster
Yick-Bun Chan, Edward A Kravitz
Journal of Computational Chemistry
|
July 3, 2015
On the inclusion of post-MP2 contributions to double-hybrid density functionals
Bun Chan, Lars Goerigk, Leo Radom
Journal of Chemical Theory and Computation
|
November 26, 2015
G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2)
Bun Chan, Jia Deng, Leo Radom
The Journal of Chemical Physics
|
March 23, 2022
Higher-order transition state approximation
Takahito Nakajima, Kimihiko Hirao, Bun Chan
Page
of 29