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The Journal of Physical Chemistry. A
|
August 15, 2009
Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+)
Andrew S Petit, Anne B McCoy
The Journal of Chemical Physics
|
July 10, 2014
How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: a simple generalization of ground-state Kubo theory
Andrew S Petit, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
November 18, 2015
Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra
Andrew S Petit, Joseph E Subotnik
The Journal of Physical Chemistry. A
|
February 16, 2013
Diffusion Monte Carlo in internal coordinates
Andrew S Petit, Anne B McCoy
The Journal of Chemical Physics
|
October 24, 2014
Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories
Andrew S Petit, Joseph E Subotnik
The Journal of Chemical Physics
|
February 25, 2012
Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: applications to H3+ and H3O+
Andrew S Petit, Bethany A Wellen, Anne B McCoy
The Journal of Organic Chemistry
|
April 15, 2022
Computationally Probing the Mechanism of the Blue-Light-Driven O-H Functionalization of Alcohols by Aryldiazoacetates: Photobasicity or Carbene Chemistry
Geovanny M Gallardo, Damian J Ventura, Andrew S Petit
The Journal of Physical Chemistry. A
|
September 24, 2013
Simultaneous evaluation of multiple rotationally excited states of H3(+), H3O(+), and CH5(+) using diffusion Monte Carlo
Andrew S Petit, Jason E Ford, Anne B McCoy
The Journal of Chemical Physics
|
January 25, 2013
Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+
Andrew S Petit, Bethany A Wellen, Anne B McCoy
The Journal of Physical Chemistry. A
|
August 8, 2023
Theoretical Study of the Photochemical Mechanisms of the Electronic Quenching of NO(<i>A</i><sup>2</sup>Σ<sup>+</sup>) with CH<sub>4</sub>, CH<sub>3</sub>OH, and CO<sub>2</sub>
Aerial N Bridgers, Justin A Urquilla, Julia Im, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
August 15, 2009
Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+)
Andrew S Petit, Anne B McCoy
The Journal of Chemical Physics
|
July 10, 2014
How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: a simple generalization of ground-state Kubo theory
Andrew S Petit, Joseph E Subotnik
Journal of Chemical Theory and Computation
|
November 18, 2015
Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra
Andrew S Petit, Joseph E Subotnik
The Journal of Physical Chemistry. A
|
February 16, 2013
Diffusion Monte Carlo in internal coordinates
Andrew S Petit, Anne B McCoy
The Journal of Chemical Physics
|
October 24, 2014
Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories
Andrew S Petit, Joseph E Subotnik
The Journal of Chemical Physics
|
February 25, 2012
Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: applications to H3+ and H3O+
Andrew S Petit, Bethany A Wellen, Anne B McCoy
The Journal of Organic Chemistry
|
April 15, 2022
Computationally Probing the Mechanism of the Blue-Light-Driven O-H Functionalization of Alcohols by Aryldiazoacetates: Photobasicity or Carbene Chemistry
Geovanny M Gallardo, Damian J Ventura, Andrew S Petit
The Journal of Physical Chemistry. A
|
September 24, 2013
Simultaneous evaluation of multiple rotationally excited states of H3(+), H3O(+), and CH5(+) using diffusion Monte Carlo
Andrew S Petit, Jason E Ford, Anne B McCoy
The Journal of Chemical Physics
|
January 25, 2013
Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+
Andrew S Petit, Bethany A Wellen, Anne B McCoy
The Journal of Physical Chemistry. A
|
August 8, 2023
Theoretical Study of the Photochemical Mechanisms of the Electronic Quenching of NO(<i>A</i><sup>2</sup>Σ<sup>+</sup>) with CH<sub>4</sub>, CH<sub>3</sub>OH, and CO<sub>2</sub>
Aerial N Bridgers, Justin A Urquilla, Julia Im, et al.
Page
of 3