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Hrant P Hratchian

Showing results (1-10 of 58) with videos related to

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Journal of Chemical Theory and Computation|November 24, 2015
Using Efficient Predictor-Corrector Reaction Path Integrators for Studies Involving Projected FrequenciesHrant P Hratchian
The Journal of Chemical Physics|March 22, 2013
Communication: an efficient analytic gradient theory for approximate spin projection methodsHrant P Hratchian
The Journal of Chemical Physics|February 28, 2021
ΔSCF Dyson orbitals and pole strengths from natural ionization orbitalsHassan Harb, Hrant P Hratchian
Journal of Chemical Theory and Computation|November 21, 2015
Improved Predictor-Corrector Integrators For Evaluating Reaction Path CurvatureHrant P Hratchian, Elfi Kraka
Journal of Chemical Theory and Computation|November 24, 2015
Thirty Years of Geometry Optimization in Quantum Chemistry and Beyond: A Tribute to Berny SchlegelHrant P Hratchian, Xiaosong Li
The Journal of Chemical Physics|July 24, 2014
Spin projection with double hybrid density functional theoryLee M Thompson, Hrant P Hratchian
The Journal of Chemical Physics|July 23, 2004
Accurate reaction paths using a Hessian based predictor-corrector integratorHrant P Hratchian, H Bernhard Schlegel
The Journal of Chemical Physics|June 7, 2011
Integrating steepest-descent reaction pathways for large moleculesHrant P Hratchian, Michael J Frisch
The Journal of Chemical Physics|February 10, 2015
Second derivatives for approximate spin projection methodsLee M Thompson, Hrant P Hratchian
The Journal of Physical Chemistry. A|July 2, 2015
Modeling the Photoelectron Spectra of MoNbO2(-) Accounting for Spin Contamination in Density Functional TheoryLee M Thompson, Hrant P Hratchian
Pageof 6

Showing results (1-10 of 58) with videos related to

Sort By:
Pageof 6
Journal of Chemical Theory and Computation|November 24, 2015
Using Efficient Predictor-Corrector Reaction Path Integrators for Studies Involving Projected FrequenciesHrant P Hratchian
The Journal of Chemical Physics|March 22, 2013
Communication: an efficient analytic gradient theory for approximate spin projection methodsHrant P Hratchian
The Journal of Chemical Physics|February 28, 2021
ΔSCF Dyson orbitals and pole strengths from natural ionization orbitalsHassan Harb, Hrant P Hratchian
Journal of Chemical Theory and Computation|November 21, 2015
Improved Predictor-Corrector Integrators For Evaluating Reaction Path CurvatureHrant P Hratchian, Elfi Kraka
Journal of Chemical Theory and Computation|November 24, 2015
Thirty Years of Geometry Optimization in Quantum Chemistry and Beyond: A Tribute to Berny SchlegelHrant P Hratchian, Xiaosong Li
The Journal of Chemical Physics|July 24, 2014
Spin projection with double hybrid density functional theoryLee M Thompson, Hrant P Hratchian
The Journal of Chemical Physics|July 23, 2004
Accurate reaction paths using a Hessian based predictor-corrector integratorHrant P Hratchian, H Bernhard Schlegel
The Journal of Chemical Physics|June 7, 2011
Integrating steepest-descent reaction pathways for large moleculesHrant P Hratchian, Michael J Frisch
The Journal of Chemical Physics|February 10, 2015
Second derivatives for approximate spin projection methodsLee M Thompson, Hrant P Hratchian
The Journal of Physical Chemistry. A|July 2, 2015
Modeling the Photoelectron Spectra of MoNbO2(-) Accounting for Spin Contamination in Density Functional TheoryLee M Thompson, Hrant P Hratchian
Pageof 6