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The Journal of Chemical Physics
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September 26, 2009
Weakly bound complexes trapped in quantum matrices: Structure, energetics, and isomer coexistence in (para-H(2))(N)(ortho-D(2))(3) clusters
Javier Eduardo Cuervo, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
March 17, 2018
Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures
Kevin P Bishop, Pierre-Nicholas Roy
The Journal of Physical Chemistry. A
|
April 21, 2006
Excited States of weakly bound bosonic clusters: discrete variable representation and quantum Monte Carlo
M P Nightingale, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
October 4, 2006
Path integral ground state study of finite-size systems: application to small (parahydrogen)N (N=2-20) clusters
Javier Eduardo Cuervo, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
September 17, 2005
Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: accurate reduction in zero-point energy
Bilkiss B Issack, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
August 11, 2007
Quantum molecular dynamics of hydrogen bonded complexes of rigid molecules using the semiclassical initial value representation in Cartesian coordinates
Bilkiss B Issack, Pierre-Nicholas Roy
Journal of Chemical Theory and Computation
|
November 22, 2015
Performance of the SCC-DFTB Model for Description of Five-Membered Ring Carbohydrate Conformations: Comparison to Force Fields, High-Level Electronic Structure Methods, and Experiment
Shahidul M Islam, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
September 28, 2004
Energy levels and wave functions of weakly-bound 4Hex 20NeyH (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approach
Yong Dong Liu, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
June 17, 2008
On the solid- and liquidlike nature of quantum clusters in their ground state
Javier Eduardo Cuervo, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
January 19, 2007
Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: excited states
Bilkiss B Issack, Pierre-Nicholas Roy
Page
of 9
Search research articles
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Showing results (21-30 of 82) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
September 26, 2009
Weakly bound complexes trapped in quantum matrices: Structure, energetics, and isomer coexistence in (para-H(2))(N)(ortho-D(2))(3) clusters
Javier Eduardo Cuervo, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
March 17, 2018
Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperatures
Kevin P Bishop, Pierre-Nicholas Roy
The Journal of Physical Chemistry. A
|
April 21, 2006
Excited States of weakly bound bosonic clusters: discrete variable representation and quantum Monte Carlo
M P Nightingale, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
October 4, 2006
Path integral ground state study of finite-size systems: application to small (parahydrogen)N (N=2-20) clusters
Javier Eduardo Cuervo, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
September 17, 2005
Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: accurate reduction in zero-point energy
Bilkiss B Issack, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
August 11, 2007
Quantum molecular dynamics of hydrogen bonded complexes of rigid molecules using the semiclassical initial value representation in Cartesian coordinates
Bilkiss B Issack, Pierre-Nicholas Roy
Journal of Chemical Theory and Computation
|
November 22, 2015
Performance of the SCC-DFTB Model for Description of Five-Membered Ring Carbohydrate Conformations: Comparison to Force Fields, High-Level Electronic Structure Methods, and Experiment
Shahidul M Islam, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
September 28, 2004
Energy levels and wave functions of weakly-bound 4Hex 20NeyH (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approach
Yong Dong Liu, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
June 17, 2008
On the solid- and liquidlike nature of quantum clusters in their ground state
Javier Eduardo Cuervo, Pierre-Nicholas Roy
The Journal of Chemical Physics
|
January 19, 2007
Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: excited states
Bilkiss B Issack, Pierre-Nicholas Roy
Page
of 9