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Journal of Chemical Theory and Computation
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August 13, 2024
Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction Doubles
Brendan M Shumberger, T Daniel Crawford
The Journal of Physical Chemistry. A
|
June 11, 2011
Singlet excited states of silicon-containing anions relevant to interstellar chemistry
Ryan C Fortenberry, T Daniel Crawford
The Journal of Physical Chemistry. A
|
January 18, 2008
Comparison of time-dependent density-functional theory and coupled cluster theory for the calculation of the optical rotations of chiral molecules
T Daniel Crawford, Philip J Stephens
The Journal of Chemical Physics
|
July 8, 2008
Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model
Edward F Valeev, T Daniel Crawford
The Journal of Physical Chemistry. A
|
January 15, 2026
Analytic Computation of Vibrational Circular Dichroism Spectra Using Configuration Interaction Methods
Brendan M Shumberger, T Daniel Crawford
The Journal of Physical Chemistry. A
|
February 10, 2006
Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrin
Mary C Tam, T Daniel Crawford
The Journal of Chemical Physics
|
April 26, 2011
Theoretical prediction of new dipole-bound singlet states for anions of interstellar interest
Ryan C Fortenberry, T Daniel Crawford
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations
Nicholas J Russ, T Daniel Crawford
The Journal of Physical Chemistry. A
|
July 28, 2011
Basis set dependence of coupled cluster optical rotation computations
Taylor J Mach, T Daniel Crawford
The Journal of Physical Chemistry. A
|
October 16, 2025
Occurrence and Impact of Electric-Field-Induced Discontinuities in Correlation Energies from Localized Pair-Natural-Orbital Methods
Jose P Madriaga, T Daniel Crawford
Page
of 15
Search research articles
Search
Showing results (11-20 of 145) with videos related to
Sort By:
Page
of 15
Journal of Chemical Theory and Computation
|
August 13, 2024
Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction Doubles
Brendan M Shumberger, T Daniel Crawford
The Journal of Physical Chemistry. A
|
June 11, 2011
Singlet excited states of silicon-containing anions relevant to interstellar chemistry
Ryan C Fortenberry, T Daniel Crawford
The Journal of Physical Chemistry. A
|
January 18, 2008
Comparison of time-dependent density-functional theory and coupled cluster theory for the calculation of the optical rotations of chiral molecules
T Daniel Crawford, Philip J Stephens
The Journal of Chemical Physics
|
July 8, 2008
Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model
Edward F Valeev, T Daniel Crawford
The Journal of Physical Chemistry. A
|
January 15, 2026
Analytic Computation of Vibrational Circular Dichroism Spectra Using Configuration Interaction Methods
Brendan M Shumberger, T Daniel Crawford
The Journal of Physical Chemistry. A
|
February 10, 2006
Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrin
Mary C Tam, T Daniel Crawford
The Journal of Chemical Physics
|
April 26, 2011
Theoretical prediction of new dipole-bound singlet states for anions of interstellar interest
Ryan C Fortenberry, T Daniel Crawford
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations
Nicholas J Russ, T Daniel Crawford
The Journal of Physical Chemistry. A
|
July 28, 2011
Basis set dependence of coupled cluster optical rotation computations
Taylor J Mach, T Daniel Crawford
The Journal of Physical Chemistry. A
|
October 16, 2025
Occurrence and Impact of Electric-Field-Induced Discontinuities in Correlation Energies from Localized Pair-Natural-Orbital Methods
Jose P Madriaga, T Daniel Crawford
Page
of 15