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Head-Gordon

Showing results (491-500 of 626) with videos related to

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Environmental Science & Technology|March 24, 2023
Computational Studies of Rubber Ozonation Explain the Effectiveness of 6PPD as an Antidegradant and the Mechanism of Its Quinone FormationElliot Rossomme, William M Hart-Cooper, William J Orts, et al.
The Journal of Physical Chemistry. A|September 4, 2024
The Role of Spin-Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl DyesJustin J Talbot, Thomas P Cheshire, Stephen J Cotton, et al.
Proceedings of the National Academy of Sciences of the United States of America|October 5, 2017
Mechanistic insights into electrochemical reduction of CO<sub>2</sub> over Ag using density functional theory and transport modelsMeenesh R Singh, Jason D Goodpaster, Adam Z Weber, et al.
Proteins|March 1, 1995
The first solvation shell of magnesium ion in a model protein environment with formate, water, and X-NH3, H2S, imidazole, formaldehyde, and chloride as ligands: an Ab initio studyD W Deerfield, D J Fox, M Head-Gordon, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
Structure and water dynamics of aqueous peptide solutions in the presence of co-solventsCecile Malardier-Jugroot, Daniel T Bowron, Alan K Soper, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 21, 2007
Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emissionYoung Min Rhee, Timothy J Lee, Murthy S Gudipati, et al.
The Journal of Physical Chemistry. B|September 26, 2014
Role of hydrophilicity and length of diblock arms for determining star polymer physical propertiesLisa E Felberg, David H Brookes, Teresa Head-Gordon, et al.
The Journal of Chemical Physics|October 31, 2021
Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductorsJoonho Lee, Xintian Feng, Leonardo A Cunha, et al.
The Journal of Physical Chemistry. B|February 17, 2015
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water ModelMarie L Laury, Lee-Ping Wang, Vijay S Pande, et al.
Physical Chemistry Chemical Physics : PCCP|August 25, 2022
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approachJuan E Arias-Martinez, Leonardo A Cunha, Katherine J Oosterbaan, et al.
Pageof 63

Showing results (491-500 of 626) with videos related to

Sort By:
Pageof 63
Environmental Science & Technology|March 24, 2023
Computational Studies of Rubber Ozonation Explain the Effectiveness of 6PPD as an Antidegradant and the Mechanism of Its Quinone FormationElliot Rossomme, William M Hart-Cooper, William J Orts, et al.
The Journal of Physical Chemistry. A|September 4, 2024
The Role of Spin-Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl DyesJustin J Talbot, Thomas P Cheshire, Stephen J Cotton, et al.
Proceedings of the National Academy of Sciences of the United States of America|October 5, 2017
Mechanistic insights into electrochemical reduction of CO<sub>2</sub> over Ag using density functional theory and transport modelsMeenesh R Singh, Jason D Goodpaster, Adam Z Weber, et al.
Proteins|March 1, 1995
The first solvation shell of magnesium ion in a model protein environment with formate, water, and X-NH3, H2S, imidazole, formaldehyde, and chloride as ligands: an Ab initio studyD W Deerfield, D J Fox, M Head-Gordon, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
Structure and water dynamics of aqueous peptide solutions in the presence of co-solventsCecile Malardier-Jugroot, Daniel T Bowron, Alan K Soper, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 21, 2007
Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emissionYoung Min Rhee, Timothy J Lee, Murthy S Gudipati, et al.
The Journal of Physical Chemistry. B|September 26, 2014
Role of hydrophilicity and length of diblock arms for determining star polymer physical propertiesLisa E Felberg, David H Brookes, Teresa Head-Gordon, et al.
The Journal of Chemical Physics|October 31, 2021
Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductorsJoonho Lee, Xintian Feng, Leonardo A Cunha, et al.
The Journal of Physical Chemistry. B|February 17, 2015
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water ModelMarie L Laury, Lee-Ping Wang, Vijay S Pande, et al.
Physical Chemistry Chemical Physics : PCCP|August 25, 2022
Accurate core excitation and ionization energies from a state-specific coupled-cluster singles and doubles approachJuan E Arias-Martinez, Leonardo A Cunha, Katherine J Oosterbaan, et al.
Pageof 63