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Journal of Chemical Theory and Computation
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July 22, 2017
Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory
Elvis Maradzike, Gergely Gidofalvi, Justin M Turney, et al.
The Journal of Chemical Physics
|
September 22, 2011
Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory
Uğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of Chemical Theory and Computation
|
December 4, 2020
Coupled Cluster Externally Corrected by Adaptive Configuration Interaction
Gustavo J R Aroeira, Madeline M Davis, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
March 17, 2021
Highly Strained Pn(CH)<sub>3</sub> (Pn = N, P, As, Sb, Bi) Tetrahedranes: Theoretical Characterization
Mark E Wolf, Elizabeth A Doty, Justin M Turney, et al.
The Journal of Organic Chemistry
|
July 3, 2020
Substituted <i>Ortho</i>-Benzynes: Properties of the Triple Bond
Mitchell E Lahm, Ryan K Maynard, Justin M Turney, et al.
The Journal of Chemical Physics
|
May 24, 2013
The ethyl radical in superfluid helium nanodroplets: rovibrational spectroscopy and ab initio computations
Paul L Raston, Jay Agarwal, Justin M Turney, et al.
The Journal of Chemical Physics
|
September 27, 2006
Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne
Justin B Ingels, Justin M Turney, Nancy A Richardson, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 17, 2018
The bismuth tetramer Bi<sub>4</sub>: the ν<sub>3</sub> key to experimental observation
Mitchell E Lahm, Preston R Hoobler, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
November 23, 2021
Substituent Effects on Aluminyl Anions and Derived Systems: A High-Level Theory
Preston R Hoobler, Nery Villegas-Escobar, Justin M Turney, et al.
The Journal of Chemical Physics
|
November 11, 2011
Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions
Edward G Hohenstein, Robert M Parrish, C David Sherrill, et al.
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of 7
Search research articles
Search
Showing results (41-50 of 67) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
July 22, 2017
Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory
Elvis Maradzike, Gergely Gidofalvi, Justin M Turney, et al.
The Journal of Chemical Physics
|
September 22, 2011
Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory
Uğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of Chemical Theory and Computation
|
December 4, 2020
Coupled Cluster Externally Corrected by Adaptive Configuration Interaction
Gustavo J R Aroeira, Madeline M Davis, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
March 17, 2021
Highly Strained Pn(CH)<sub>3</sub> (Pn = N, P, As, Sb, Bi) Tetrahedranes: Theoretical Characterization
Mark E Wolf, Elizabeth A Doty, Justin M Turney, et al.
The Journal of Organic Chemistry
|
July 3, 2020
Substituted <i>Ortho</i>-Benzynes: Properties of the Triple Bond
Mitchell E Lahm, Ryan K Maynard, Justin M Turney, et al.
The Journal of Chemical Physics
|
May 24, 2013
The ethyl radical in superfluid helium nanodroplets: rovibrational spectroscopy and ab initio computations
Paul L Raston, Jay Agarwal, Justin M Turney, et al.
The Journal of Chemical Physics
|
September 27, 2006
Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne
Justin B Ingels, Justin M Turney, Nancy A Richardson, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 17, 2018
The bismuth tetramer Bi<sub>4</sub>: the ν<sub>3</sub> key to experimental observation
Mitchell E Lahm, Preston R Hoobler, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
November 23, 2021
Substituent Effects on Aluminyl Anions and Derived Systems: A High-Level Theory
Preston R Hoobler, Nery Villegas-Escobar, Justin M Turney, et al.
The Journal of Chemical Physics
|
November 11, 2011
Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions
Edward G Hohenstein, Robert M Parrish, C David Sherrill, et al.
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of 7