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Noel S Hush

Showing results (11-20 of 39) with videos related to

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Annals of the New York Academy of Sciences|February 21, 2004
The appropriateness of density-functional theory for the calculation of molecular electronics propertiesJeffrey R Reimers, Zheng-Li Cai, Ante Bilić, et al.
Journal of the American Chemical Society|August 4, 2007
Successful a priori modeling of CO adsorption on Pt(111) using periodic hybrid density functional theoryYun Wang, Stefano de Gironcoli, Noel S Hush, et al.
Annals of the New York Academy of Sciences|April 25, 2002
An atomistic approach to conduction between nanoelectrodes through a single moleculeJeffrey R Reimers, Warwick A Shapley, Nicholas Lambropoulos, et al.
Physical Chemistry Chemical Physics : PCCP|July 21, 2015
Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state modelJeffrey R Reimers, Laura K McKemmish, Ross H McKenzie, et al.
Physical Chemistry Chemical Physics : PCCP|July 24, 2015
Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopyLaura K McKemmish, Ross H McKenzie, Noel S Hush, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2015
Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown correctionsJeffrey R Reimers, Laura K McKemmish, Ross H McKenzie, et al.
The Journal of Chemical Physics|January 10, 2012
Quantum entanglement between electronic and vibrational degrees of freedom in moleculesLaura K McKemmish, Ross H McKenzie, Noel S Hush, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2015
A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticityJeffrey R Reimers, Laura K McKemmish, Ross H McKenzie, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Coexistence of multiple conformations in cysteamine monolayers on Au(111)Jingdong Zhang, Ante Bilic, Jeffrey R Reimers, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 2, 2016
Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates formJeffrey R Reimers, Michael J Ford, Arnab Halder, et al.
Pageof 4

Showing results (11-20 of 39) with videos related to

Sort By:
Pageof 4
Annals of the New York Academy of Sciences|February 21, 2004
The appropriateness of density-functional theory for the calculation of molecular electronics propertiesJeffrey R Reimers, Zheng-Li Cai, Ante Bilić, et al.
Journal of the American Chemical Society|August 4, 2007
Successful a priori modeling of CO adsorption on Pt(111) using periodic hybrid density functional theoryYun Wang, Stefano de Gironcoli, Noel S Hush, et al.
Annals of the New York Academy of Sciences|April 25, 2002
An atomistic approach to conduction between nanoelectrodes through a single moleculeJeffrey R Reimers, Warwick A Shapley, Nicholas Lambropoulos, et al.
Physical Chemistry Chemical Physics : PCCP|July 21, 2015
Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state modelJeffrey R Reimers, Laura K McKemmish, Ross H McKenzie, et al.
Physical Chemistry Chemical Physics : PCCP|July 24, 2015
Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopyLaura K McKemmish, Ross H McKenzie, Noel S Hush, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2015
Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown correctionsJeffrey R Reimers, Laura K McKemmish, Ross H McKenzie, et al.
The Journal of Chemical Physics|January 10, 2012
Quantum entanglement between electronic and vibrational degrees of freedom in moleculesLaura K McKemmish, Ross H McKenzie, Noel S Hush, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2015
A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticityJeffrey R Reimers, Laura K McKemmish, Ross H McKenzie, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Coexistence of multiple conformations in cysteamine monolayers on Au(111)Jingdong Zhang, Ante Bilic, Jeffrey R Reimers, et al.
Proceedings of the National Academy of Sciences of the United States of America|March 2, 2016
Gold surfaces and nanoparticles are protected by Au(0)-thiyl species and are destroyed when Au(I)-thiolates formJeffrey R Reimers, Michael J Ford, Arnab Halder, et al.
Pageof 4