Search research articles
Contact Us
Filters
Showing results (1-10 of 9) with videos related to
Page
of 1
Sort By:
The Journal of Chemical Physics
|
February 12, 2009
Combining the nuclear-electronic orbital approach with vibronic coupling theory: calculation of the tunneling splitting for malonaldehyde
Anirban Hazra, Jonathan H Skone, Sharon Hammes-Schiffer
Journal of the American Chemical Society
|
December 21, 2006
Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms
Jonathan H Skone, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Chemical Physics
|
October 15, 2005
Nuclear-electronic orbital nonorthogonal configuration interaction approach
Jonathan H Skone, Michael V Pak, Sharon Hammes-Schiffer
The Journal of Physical Chemistry. B
|
October 18, 2007
Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction
Michelle K Ludlow, Jonathan H Skone, Sharon Hammes-Schiffer
Biochimica Et Biophysica Acta
|
April 10, 2013
Toward the accurate calculation of pKa values in water and acetonitrile
James T Muckerman, Jonathan H Skone, Ming Ning, et al.
Coordination Chemistry Reviews
|
September 28, 2011
Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics
Sharon Hammes-Schiffer, Elizabeth Hatcher, Hiroshi Ishikita, et al.
Journal of the American Chemical Society
|
July 27, 2018
Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies
Pengfei Ji, Tasha Drake, Akiko Murakami, et al.
Journal of the American Chemical Society
|
April 23, 2016
Photoelectron Spectra of Aqueous Solutions from First Principles
Alex P Gaiduk, Marco Govoni, Robert Seidel, et al.
Scientific Data
|
January 30, 2019
Qresp, a tool for curating, discovering and exploring reproducible scientific papers
Marco Govoni, Milson Munakami, Aditya Tanikanti, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 12, 2009
Combining the nuclear-electronic orbital approach with vibronic coupling theory: calculation of the tunneling splitting for malonaldehyde
Anirban Hazra, Jonathan H Skone, Sharon Hammes-Schiffer
Journal of the American Chemical Society
|
December 21, 2006
Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms
Jonathan H Skone, Alexander V Soudackov, Sharon Hammes-Schiffer
The Journal of Chemical Physics
|
October 15, 2005
Nuclear-electronic orbital nonorthogonal configuration interaction approach
Jonathan H Skone, Michael V Pak, Sharon Hammes-Schiffer
The Journal of Physical Chemistry. B
|
October 18, 2007
Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction
Michelle K Ludlow, Jonathan H Skone, Sharon Hammes-Schiffer
Biochimica Et Biophysica Acta
|
April 10, 2013
Toward the accurate calculation of pKa values in water and acetonitrile
James T Muckerman, Jonathan H Skone, Ming Ning, et al.
Coordination Chemistry Reviews
|
September 28, 2011
Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics
Sharon Hammes-Schiffer, Elizabeth Hatcher, Hiroshi Ishikita, et al.
Journal of the American Chemical Society
|
July 27, 2018
Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies
Pengfei Ji, Tasha Drake, Akiko Murakami, et al.
Journal of the American Chemical Society
|
April 23, 2016
Photoelectron Spectra of Aqueous Solutions from First Principles
Alex P Gaiduk, Marco Govoni, Robert Seidel, et al.
Scientific Data
|
January 30, 2019
Qresp, a tool for curating, discovering and exploring reproducible scientific papers
Marco Govoni, Milson Munakami, Aditya Tanikanti, et al.
Page
of 1