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Joel M Bowman

Showing results (1-10 of 278) with videos related to

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Proceedings of the National Academy of Sciences of the United States of America|October 25, 2006
Skirting the transition state, a new paradigm in reaction rate theoryJoel M Bowman
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|October 8, 2013
Preface to special issue on computational spectroscopyJoel M Bowman
Science (New York, N.Y.)|January 5, 2008
Chemistry. Beyond Born-OppenheimerJoel M Bowman
The Journal of Physical Chemistry Letters|August 19, 2015
IR Spectra of the Water Hexamer: Theory, with Inclusion of the Monomer Bend Overtone, and Experiment Are in AgreementYimin Wang, Joel M Bowman
Faraday Discussions|September 25, 2018
Quantum and classical IR spectra of (HCOOH)<sub>2</sub>, (DCOOH)<sub>2</sub> and (DCOOD)<sub>2</sub> using ab initio potential energy and dipole moment surfacesChen Qu, Joel M Bowman
The Journal of Chemical Physics|July 2, 2018
High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrumChen Qu, Joel M Bowman
Proceedings of the National Academy of Sciences of the United States of America|May 9, 2012
Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surfaceGábor Czakó, Joel M Bowman
The Journal of Physical Chemistry Letters|May 1, 2018
IR Spectra of (HCOOH)<sub>2</sub> and (DCOOH)<sub>2</sub>: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment SurfacesChen Qu, Joel M Bowman
Journal of Chemical Theory and Computation|November 21, 2015
Zero-point Energy is Needed in Molecular Dynamics Calculations to Access the Saddle Point for H+HCN→H2CN* and cis/trans-HCNH* on a New Potential Energy SurfaceXiaohong Wang, Joel M Bowman
The Journal of Physical Chemistry. B|March 26, 2014
Diffusion Monte Carlo calculations of zero-point structures of partially deuterated isotopologues of H7(+)Chen Qu, Joel M Bowman
Pageof 28

Showing results (1-10 of 278) with videos related to

Sort By:
Pageof 28
Proceedings of the National Academy of Sciences of the United States of America|October 25, 2006
Skirting the transition state, a new paradigm in reaction rate theoryJoel M Bowman
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|October 8, 2013
Preface to special issue on computational spectroscopyJoel M Bowman
Science (New York, N.Y.)|January 5, 2008
Chemistry. Beyond Born-OppenheimerJoel M Bowman
The Journal of Physical Chemistry Letters|August 19, 2015
IR Spectra of the Water Hexamer: Theory, with Inclusion of the Monomer Bend Overtone, and Experiment Are in AgreementYimin Wang, Joel M Bowman
Faraday Discussions|September 25, 2018
Quantum and classical IR spectra of (HCOOH)<sub>2</sub>, (DCOOH)<sub>2</sub> and (DCOOD)<sub>2</sub> using ab initio potential energy and dipole moment surfacesChen Qu, Joel M Bowman
The Journal of Chemical Physics|July 2, 2018
High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrumChen Qu, Joel M Bowman
Proceedings of the National Academy of Sciences of the United States of America|May 9, 2012
Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surfaceGábor Czakó, Joel M Bowman
The Journal of Physical Chemistry Letters|May 1, 2018
IR Spectra of (HCOOH)<sub>2</sub> and (DCOOH)<sub>2</sub>: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment SurfacesChen Qu, Joel M Bowman
Journal of Chemical Theory and Computation|November 21, 2015
Zero-point Energy is Needed in Molecular Dynamics Calculations to Access the Saddle Point for H+HCN→H2CN* and cis/trans-HCNH* on a New Potential Energy SurfaceXiaohong Wang, Joel M Bowman
The Journal of Physical Chemistry. B|March 26, 2014
Diffusion Monte Carlo calculations of zero-point structures of partially deuterated isotopologues of H7(+)Chen Qu, Joel M Bowman
Pageof 28