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The Journal of Chemical Physics
|
July 8, 2022
Erratum: "Geometry optimization made simple with explicit translation and rotation coordinates" [J. Chem. Phys. 144, 214108 (2016)]
Lee-Ping Wang, Chenchen Song
Journal of Chemical Theory and Computation
|
July 19, 2019
Car-Parrinello Monitor for More Robust Born-Oppenheimer Molecular Dynamics
Lee-Ping Wang, Chenchen Song
Journal of Chemical Theory and Computation
|
August 1, 2024
A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins
Chenchen Song, Lee-Ping Wang
The Journal of Chemical Physics
|
June 10, 2016
Geometry optimization made simple with translation and rotation coordinates
Lee-Ping Wang, Chenchen Song
Journal of Chemical Theory and Computation
|
November 25, 2015
A Polarizable QM/MM Explicit Solvent Model for Computational Electrochemistry in Water
Lee-Ping Wang, Troy Van Voorhis
The Journal of Chemical Physics
|
December 29, 2010
Communication: Hybrid ensembles for improved force matching
Lee-Ping Wang, Troy Van Voorhis
Glycobiology
|
November 2, 2022
The impact of conformational sampling on first-principles calculations of vicinal COCH J-couplings in carbohydrates
Hannah L Reeves, Lee-Ping Wang
Inorganic Chemistry
|
October 1, 2024
Two P, Ten P, White P, Red P: Mechanistic Exploration of the Oligomerization of Red Phosphorus from Diphosphorus with the Ab Initio Nanoreactor
Nathan D Yoshino, Lee-Ping Wang
The Journal of Physical Chemistry. A
|
October 17, 2022
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides
Christina Yeo, Minh Nguyen, Lee-Ping Wang
Journal of Chemical Theory and Computation
|
June 13, 2018
Polarizable Molecular Simulations Reveal How Silicon-Containing Functional Groups Govern the Desalination Mechanism in Nanoporous Graphene
Yudong Qiu, Benedict R Schwegler, Lee-Ping Wang
Page
of 9
Search research articles
Search
Showing results (1-10 of 88) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
July 8, 2022
Erratum: "Geometry optimization made simple with explicit translation and rotation coordinates" [J. Chem. Phys. 144, 214108 (2016)]
Lee-Ping Wang, Chenchen Song
Journal of Chemical Theory and Computation
|
July 19, 2019
Car-Parrinello Monitor for More Robust Born-Oppenheimer Molecular Dynamics
Lee-Ping Wang, Chenchen Song
Journal of Chemical Theory and Computation
|
August 1, 2024
A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins
Chenchen Song, Lee-Ping Wang
The Journal of Chemical Physics
|
June 10, 2016
Geometry optimization made simple with translation and rotation coordinates
Lee-Ping Wang, Chenchen Song
Journal of Chemical Theory and Computation
|
November 25, 2015
A Polarizable QM/MM Explicit Solvent Model for Computational Electrochemistry in Water
Lee-Ping Wang, Troy Van Voorhis
The Journal of Chemical Physics
|
December 29, 2010
Communication: Hybrid ensembles for improved force matching
Lee-Ping Wang, Troy Van Voorhis
Glycobiology
|
November 2, 2022
The impact of conformational sampling on first-principles calculations of vicinal COCH J-couplings in carbohydrates
Hannah L Reeves, Lee-Ping Wang
Inorganic Chemistry
|
October 1, 2024
Two P, Ten P, White P, Red P: Mechanistic Exploration of the Oligomerization of Red Phosphorus from Diphosphorus with the Ab Initio Nanoreactor
Nathan D Yoshino, Lee-Ping Wang
The Journal of Physical Chemistry. A
|
October 17, 2022
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides
Christina Yeo, Minh Nguyen, Lee-Ping Wang
Journal of Chemical Theory and Computation
|
June 13, 2018
Polarizable Molecular Simulations Reveal How Silicon-Containing Functional Groups Govern the Desalination Mechanism in Nanoporous Graphene
Yudong Qiu, Benedict R Schwegler, Lee-Ping Wang
Page
of 9