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The Journal of Chemical Physics|August 7, 2010
A multistage ab initio quantum wavepacket dynamics formalism for electronic structure and dynamics in open systemsAlexander B Pacheco, Srinivasan S Iyengar
The Journal of Chemical Physics|February 24, 2011
Multistage ab initio quantum wavepacket dynamics for electronic structure and dynamics in open systems: momentum representation, coupled electron-nuclear dynamics, and external fieldsAlexander B Pacheco, Srinivasan S Iyengar
The Journal of Chemical Physics|October 25, 2006
Light absorption during alkali atom-noble gas atom interactions at thermal energies: a quantum dynamics treatmentAlexander B Pacheco, Andrés Reyes, David A Micha
The Journal of Chemical Physics|January 1, 2008
Quantum dynamics of an excited alkali atom in a noble gas cluster: lithium attached to a helium clusterAlexander B Pacheco, Brian Thorndyke, Andrés Reyes, et al.
Physical Chemistry Chemical Physics : PCCP|October 14, 2016
A Grotthuss-like proton shuttle in the anomalous C<sub>2</sub>H<sub>3</sub><sup>+</sup> carbocation: energetic and vibrational properties for isotopologuesJunjie Li, Alexander B Pacheco, Krishnan Raghavachari, et al.
The Journal of Physical Chemistry. A|July 19, 2008
Experimental and ab initio dynamical investigations of the kinetics and intramolecular energy transfer mechanisms for the OH + 1,3-butadiene reaction between 263 and 423 K at low pressureDeepali Vimal, Alexander B Pacheco, Srinivasan S Iyengar, et al.
The Journal of Physical Chemistry. A|March 10, 2012
"Pump-probe" atom-centered density matrix propagation studies to gauge anharmonicity and energy repartitioning in atmospheric reactive adducts: case study of the OH + isoprene and OH + butadiene reaction intermediatesAlexander B Pacheco, Scott M Dietrick, Philip S Stevens, et al.
The Journal of Physical Chemistry. A|December 7, 2011
Influence of water on anharmonicity, stability, and vibrational energy distribution of hydrogen-bonded adducts in atmospheric reactions: case study of the OH + isoprene reaction intermediate using ab initio molecular dynamicsScott M Dietrick, Alexander B Pacheco, Prasad Phatak, et al.
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