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Journal of the American Chemical Society
|
March 25, 2004
Charge transfer in the electron donor-acceptor complex BH3NH3
Yirong Mo, Lingchun Song, Wei Wu, et al.
Journal of Chemical Theory and Computation
|
March 16, 2010
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
Alessandro Cembran, Lingchun Song, Yirong Mo, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2022
Evidence for π<sub>CHR</sub>→d<sub>M</sub> bonding in transition metal carbene compounds (L<sub></sub>MCHR) and its decisive role in the α-agostic effect
Xuhui Lin, Weiqin Tian, Wei Wu, et al.
Chemical Communications (Cambridge, England)
|
June 26, 2010
The norbornene mystery revealed
Stephan N Steinmann, Pierre Vogel, Yirong Mo, et al.
The Journal of Physical Chemistry. A
|
September 6, 2018
Role of Intramolecular Electron Delocalization in the C-X Bond Strength in CH<sub>4-n</sub>X <sub>n</sub> ( n = 0-4, X = F, Cl, CN, OCH<sub>3</sub>)
Xuhui Lin, Wei Wu, Kenneth B Wiberg, et al.
Journal of Computational Chemistry
|
May 17, 2024
Mapping the correlations between bandgap, HOMO, and LUMO trends for meta substituted Zn-MOFs
Kyle I Williamson, Daniel J C Herr, Yirong Mo
Journal of the American Chemical Society
|
April 25, 2002
Cation-pi interactions: an energy decomposition analysis and its implication in delta-opioid receptor-ligand binding
Yirong Mo, Govindan Subramanian, Jiali Gao, et al.
The Journal of Physical Chemistry. A
|
May 12, 2011
Dispersion-corrected energy decomposition analysis for intermolecular interactions based on the BLW and dDXDM methods
Stephan N Steinmann, Clemence Corminboeuf, Wei Wu, et al.
The Journal of Organic Chemistry
|
January 28, 2016
Drastic Deprotonation Reactivity Difference of 3- and 5-Alkylpyrazole Isomers, Their I2-Catalyzed Thermal Isomerization, and Telescoping Synthesis of 3,5-Dialkylpyrazoles: The "Adjacent Lone Pair Effect" Demystified
Basil M Ahmed, Huaiyu Zhang, Yirong Mo, et al.
Journal of Computational Chemistry
|
May 27, 2015
The origins of the directionality of noncovalent intermolecular interactions
Changwei Wang, Liangyu Guan, David Danovich, et al.
Page
of 15
Search research articles
Search
Showing results (71-80 of 146) with videos related to
Sort By:
Page
of 15
Journal of the American Chemical Society
|
March 25, 2004
Charge transfer in the electron donor-acceptor complex BH3NH3
Yirong Mo, Lingchun Song, Wei Wu, et al.
Journal of Chemical Theory and Computation
|
March 16, 2010
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy Surfaces
Alessandro Cembran, Lingchun Song, Yirong Mo, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2022
Evidence for π<sub>CHR</sub>→d<sub>M</sub> bonding in transition metal carbene compounds (L<sub></sub>MCHR) and its decisive role in the α-agostic effect
Xuhui Lin, Weiqin Tian, Wei Wu, et al.
Chemical Communications (Cambridge, England)
|
June 26, 2010
The norbornene mystery revealed
Stephan N Steinmann, Pierre Vogel, Yirong Mo, et al.
The Journal of Physical Chemistry. A
|
September 6, 2018
Role of Intramolecular Electron Delocalization in the C-X Bond Strength in CH<sub>4-n</sub>X <sub>n</sub> ( n = 0-4, X = F, Cl, CN, OCH<sub>3</sub>)
Xuhui Lin, Wei Wu, Kenneth B Wiberg, et al.
Journal of Computational Chemistry
|
May 17, 2024
Mapping the correlations between bandgap, HOMO, and LUMO trends for meta substituted Zn-MOFs
Kyle I Williamson, Daniel J C Herr, Yirong Mo
Journal of the American Chemical Society
|
April 25, 2002
Cation-pi interactions: an energy decomposition analysis and its implication in delta-opioid receptor-ligand binding
Yirong Mo, Govindan Subramanian, Jiali Gao, et al.
The Journal of Physical Chemistry. A
|
May 12, 2011
Dispersion-corrected energy decomposition analysis for intermolecular interactions based on the BLW and dDXDM methods
Stephan N Steinmann, Clemence Corminboeuf, Wei Wu, et al.
The Journal of Organic Chemistry
|
January 28, 2016
Drastic Deprotonation Reactivity Difference of 3- and 5-Alkylpyrazole Isomers, Their I2-Catalyzed Thermal Isomerization, and Telescoping Synthesis of 3,5-Dialkylpyrazoles: The "Adjacent Lone Pair Effect" Demystified
Basil M Ahmed, Huaiyu Zhang, Yirong Mo, et al.
Journal of Computational Chemistry
|
May 27, 2015
The origins of the directionality of noncovalent intermolecular interactions
Changwei Wang, Liangyu Guan, David Danovich, et al.
Page
of 15