Year |
Citation |
Score |
2016 |
Li J, Pacheco AB, Raghavachari K, Iyengar SS. A Grotthuss-like proton shuttle in the anomalous C2H3(+) carbocation: energetic and vibrational properties for isotopologues. Physical Chemistry Chemical Physics : Pccp. PMID 27735000 DOI: 10.1039/C6Cp04450F |
0.586 |
|
2012 |
Pacheco AB, Dietrick SM, Stevens PS, Iyengar SS. "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 intermediates. The Journal of Physical Chemistry. A. 116: 4108-28. PMID 22401490 DOI: 10.1021/Jp212330E |
0.529 |
|
2012 |
Dietrick SM, Pacheco AB, Phatak P, Stevens PS, Iyengar SS. 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 dynamics. The Journal of Physical Chemistry. A. 116: 399-414. PMID 22142281 DOI: 10.1021/Jp204511V |
0.486 |
|
2011 |
Pacheco AB, Iyengar SS. Multistage ab initio quantum wavepacket dynamics for electronic structure and dynamics in open systems: momentum representation, coupled electron-nuclear dynamics, and external fields. The Journal of Chemical Physics. 134: 074107. PMID 21341828 DOI: 10.1063/1.3534797 |
0.544 |
|
2010 |
Pacheco AB, Iyengar SS. A multistage ab initio quantum wavepacket dynamics formalism for electronic structure and dynamics in open systems. The Journal of Chemical Physics. 133: 044105. PMID 20687631 DOI: 10.1063/1.3463798 |
0.542 |
|
2008 |
Vimal D, Pacheco AB, Iyengar SS, Stevens PS. 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 pressure. The Journal of Physical Chemistry. A. 112: 7227-37. PMID 18636694 DOI: 10.1021/Jp8003882 |
0.461 |
|
2007 |
Pacheco AB, Thorndyke B, Reyes A, Micha DA. Quantum dynamics of an excited alkali atom in a noble gas cluster: lithium attached to a helium cluster. The Journal of Chemical Physics. 127: 244504. PMID 18163688 DOI: 10.1063/1.2813889 |
0.621 |
|
2006 |
Pacheco AB, Reyes A, Micha DA. Light absorption during alkali atom-noble gas atom interactions at thermal energies: a quantum dynamics treatment. The Journal of Chemical Physics. 125: 154313. PMID 17059261 DOI: 10.1063/1.2357956 |
0.709 |
|
2006 |
Pacheco AB, Reyes A, Micha DA. Publisher's Note: First-principles dynamics treatment of light emission in collisions between alkali-metal atoms and noble-gas atoms at10keV[Phys. Rev. A74, 062714 (2006)] Physical Review A. 74. DOI: 10.1103/Physreva.74.069904 |
0.665 |
|
2006 |
Pacheco AB, Reyes A, Micha DA. First-principles dynamics treatment of light emission in collisions between alkali-metal atom and noble-gas atom collisions at 10 keV Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.062714 |
0.677 |
|
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