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Results of search for 'au:"Parandekar, Priya"'
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Authors
Frisch, Michael J
Hratchian, Hrant P
Krukau, Aliaksandr V
Kunnikuruvan, Sooraj
Nair, Nisanth N
Parandekar, Priya
Parandekar, Priya V
Prakash, Om
Raghavachari, Krishnan
Roy, Sharani
Schmidt, J R
Shenvi, Neil
Tsotsis, Thomas K
Tully, John
Tully, John C
Vreven, Thom
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1.
Mixed quantum-classical equilibrium.
[electronic resource]
by
Parandekar, Priya V
Tully, John C
Producer:
20060707
In:
The Journal of chemical physics
vol. 122
Online resources:
Available from publisher's website
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2.
Detailed Balance in Ehrenfest Mixed Quantum-Classical Dynamics.
[electronic resource]
by
Parandekar, Priya V
Tully, John C
Producer:
20151203
In:
Journal of chemical theory and computation
vol. 2
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Available from publisher's website
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3.
Vibrational relaxation of NO on Au(111) via electron-hole pair generation.
[electronic resource]
by
Shenvi, Neil
Roy, Sharani
Parandekar, Priya
Tully, John
Producer:
20070810
In:
The Journal of chemical physics
vol. 125
Online resources:
Available from publisher's website
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4.
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges.
[electronic resource]
by
Parandekar, Priya V
Hratchian, Hrant P
Raghavachari, Krishnan
Producer:
20090121
In:
The Journal of chemical physics
vol. 129
Online resources:
Available from publisher's website
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5.
Mixed quantum-classical equilibrium: Surface hopping.
[electronic resource]
by
Schmidt, J R
Parandekar, Priya V
Tully, John C
Producer:
20080925
In:
The Journal of chemical physics
vol. 129
Online resources:
Available from publisher's website
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6.
Insights into the Mechanism and Kinetics of Thermo-Oxidative Degradation of HFPE High Performance Polymer.
[electronic resource]
by
Kunnikuruvan, Sooraj
Parandekar, Priya V
Prakash, Om
Tsotsis, Thomas K
Nair, Nisanth N
Producer:
20180409
In:
The journal of physical chemistry. B
vol. 120
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7.
QM:QM electronic embedding using Mulliken atomic charges: energies and analytic gradients in an ONIOM framework.
[electronic resource]
by
Hratchian, Hrant P
Parandekar, Priya V
Raghavachari, Krishnan
Frisch, Michael J
Vreven, Thom
Producer:
20080331
In:
The Journal of chemical physics
vol. 128
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Available from publisher's website
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8.
QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients.
[electronic resource]
by
Hratchian, Hrant P
Krukau, Aliaksandr V
Parandekar, Priya V
Frisch, Michael J
Raghavachari, Krishnan
Producer:
20111025
In:
The Journal of chemical physics
vol. 135
Online resources:
Available from publisher's website
Availability:
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