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The Journal of Chemical Physics
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August 22, 2008
Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces
Frans A Asmuruf, Nicholas A Besley
Journal of Chemical Theory and Computation
|
November 21, 2015
Quantum Chemical Calculations of X-ray Emission Spectroscopy
Jack D Wadey, Nicholas A Besley
Journal of Chemical Theory and Computation
|
December 3, 2015
Ab Initio Finite-Temperature Electronic Absorption Spectrum of Formamide
Nicholas A Besley, Nikos L Doltsinis
The Journal of Chemical Physics
|
January 26, 2007
Computation of the amide I band of polypeptides and proteins using a partial Hessian approach
Nicholas A Besley, Katie A Metcalf
The Journal of Chemical Physics
|
July 23, 2004
Atomic and molecular intracules for excited states
Nicholas A Besley, Peter M W Gill
Journal of Computational Chemistry
|
January 23, 2020
Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic molecules
Adam A E Fouda, Nicholas A Besley
The Journal of Chemical Physics
|
March 24, 2016
The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes
Ian P E Roper, Nicholas A Besley
The Journal of Physical Chemistry. B
|
June 19, 2013
Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins
Hainam Do, Robert J Deeth, Nicholas A Besley
Journal of Computational Chemistry
|
November 19, 2016
A QM/MM study of the nature of the entatic state in plastocyanin
Catherine A Hurd, Nicholas A Besley, David Robinson
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2018
Reactivity of the O<sub>2</sub><sup>+</sup>·(H<sub>2</sub>O)<sub>n</sub> and NO<sup>+</sup>·(H<sub>2</sub>O)<sub>n</sub> cluster ions in the D-region of the ionosphere
Sainish Sharma, Timothy G Wright, Nicholas A Besley
Page
of 9
Search research articles
Search
Showing results (21-30 of 88) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
August 22, 2008
Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces
Frans A Asmuruf, Nicholas A Besley
Journal of Chemical Theory and Computation
|
November 21, 2015
Quantum Chemical Calculations of X-ray Emission Spectroscopy
Jack D Wadey, Nicholas A Besley
Journal of Chemical Theory and Computation
|
December 3, 2015
Ab Initio Finite-Temperature Electronic Absorption Spectrum of Formamide
Nicholas A Besley, Nikos L Doltsinis
The Journal of Chemical Physics
|
January 26, 2007
Computation of the amide I band of polypeptides and proteins using a partial Hessian approach
Nicholas A Besley, Katie A Metcalf
The Journal of Chemical Physics
|
July 23, 2004
Atomic and molecular intracules for excited states
Nicholas A Besley, Peter M W Gill
Journal of Computational Chemistry
|
January 23, 2020
Improving the predictive quality of time-dependent density functional theory calculations of the X-ray emission spectroscopy of organic molecules
Adam A E Fouda, Nicholas A Besley
The Journal of Chemical Physics
|
March 24, 2016
The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes
Ian P E Roper, Nicholas A Besley
The Journal of Physical Chemistry. B
|
June 19, 2013
Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins
Hainam Do, Robert J Deeth, Nicholas A Besley
Journal of Computational Chemistry
|
November 19, 2016
A QM/MM study of the nature of the entatic state in plastocyanin
Catherine A Hurd, Nicholas A Besley, David Robinson
Physical Chemistry Chemical Physics : PCCP
|
October 9, 2018
Reactivity of the O<sub>2</sub><sup>+</sup>·(H<sub>2</sub>O)<sub>n</sub> and NO<sup>+</sup>·(H<sub>2</sub>O)<sub>n</sub> cluster ions in the D-region of the ionosphere
Sainish Sharma, Timothy G Wright, Nicholas A Besley
Page
of 9