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Chemistry (Weinheim an Der Bergstrasse, Germany)
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December 13, 2005
An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies
Yirong Mo, Paul von Ragué Schleyer
Journal of Computational Chemistry
|
March 2, 2019
Editorial
Yirong Mo, Wei Wu, Zexing Cao
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 19, 2019
Agostic Interactions in Early Transition-Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect
Xuhui Lin, Wei Wu, Yirong Mo
The Journal of Physical Chemistry. A
|
April 2, 2021
Role of Charge Transfer in Halogen Bonding
Brandon Inscoe, Hemali Rathnayake, Yirong Mo
ACS Applied Materials & Interfaces
|
December 22, 2021
Rational Design of Main Group Metal-Embedded Nitrogen-Doped Carbon Materials as Frustrated Lewis Pair Catalysts for CO<sub>2</sub> Hydrogenation to Formic Acid
Yue Zhang, Yirong Mo, Zexing Cao
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2011
Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory
Yirong Mo, Peng Bao, Jiali Gao
Journal of Chemical Theory and Computation
|
January 5, 2010
An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane
Lingchun Song, Yirong Mo, Jiali Gao
Journal of Chemical Theory and Computation
|
November 28, 2015
Generalized X-Pol Theory and Charge Delocalization States
Jiali Gao, Alessandro Cembran, Yirong Mo
Angewandte Chemie (International Ed. in English)
|
August 3, 2007
Deprotonation mechanism of NH4+ in the Escherichia coli ammonium transporter AmtB: insight from QM and QM/MM calculations
Zexing Cao, Yirong Mo, Walter Thiel
The Journal of Physical Chemistry. B
|
March 13, 2009
Functional role of Asp160 and the deprotonation mechanism of ammonium in the Escherichia coli ammonia channel protein AmtB
Yuchun Lin, Zexing Cao, Yirong Mo
Page
of 15
Search research articles
Search
Showing results (21-30 of 146) with videos related to
Sort By:
Page
of 15
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 13, 2005
An energetic measure of aromaticity and antiaromaticity based on the Pauling-Wheland resonance energies
Yirong Mo, Paul von Ragué Schleyer
Journal of Computational Chemistry
|
March 2, 2019
Editorial
Yirong Mo, Wei Wu, Zexing Cao
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 19, 2019
Agostic Interactions in Early Transition-Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect
Xuhui Lin, Wei Wu, Yirong Mo
The Journal of Physical Chemistry. A
|
April 2, 2021
Role of Charge Transfer in Halogen Bonding
Brandon Inscoe, Hemali Rathnayake, Yirong Mo
ACS Applied Materials & Interfaces
|
December 22, 2021
Rational Design of Main Group Metal-Embedded Nitrogen-Doped Carbon Materials as Frustrated Lewis Pair Catalysts for CO<sub>2</sub> Hydrogenation to Formic Acid
Yue Zhang, Yirong Mo, Zexing Cao
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2011
Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory
Yirong Mo, Peng Bao, Jiali Gao
Journal of Chemical Theory and Computation
|
January 5, 2010
An Effective Hamiltonian Molecular Orbital-Valence Bond (MOVB) Approach for Chemical Reactions Applied to the Nucleophilic Substitution Reaction of Hydrosulfide Ion and Chloromethane
Lingchun Song, Yirong Mo, Jiali Gao
Journal of Chemical Theory and Computation
|
November 28, 2015
Generalized X-Pol Theory and Charge Delocalization States
Jiali Gao, Alessandro Cembran, Yirong Mo
Angewandte Chemie (International Ed. in English)
|
August 3, 2007
Deprotonation mechanism of NH4+ in the Escherichia coli ammonium transporter AmtB: insight from QM and QM/MM calculations
Zexing Cao, Yirong Mo, Walter Thiel
The Journal of Physical Chemistry. B
|
March 13, 2009
Functional role of Asp160 and the deprotonation mechanism of ammonium in the Escherichia coli ammonia channel protein AmtB
Yuchun Lin, Zexing Cao, Yirong Mo
Page
of 15