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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 16, 2011
Coupled-cluster calculations of vibrational Raman optical activity spectra
T Daniel Crawford, Kenneth Ruud
The Journal of Physical Chemistry. A
|
April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
April 9, 2026
Quantum Chemistry Software for Molecules and Materials
T Daniel Crawford, Andreas Dreuw
Physical Chemistry Chemical Physics : PCCP
|
October 28, 2010
Symmetry breaking in the cyclic C(3)C(2)H radical
Benjamin Mintz, T Daniel Crawford
Journal of Chemical Theory and Computation
|
December 22, 2020
PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response Theory
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
January 4, 2017
Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response Theory
Ashutosh Kumar, 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
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of 12
Search research articles
Search
Showing results (1-10 of 116) with videos related to
Sort By:
Page
of 12
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 16, 2011
Coupled-cluster calculations of vibrational Raman optical activity spectra
T Daniel Crawford, Kenneth Ruud
The Journal of Physical Chemistry. A
|
April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory Study
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
April 9, 2026
Quantum Chemistry Software for Molecules and Materials
T Daniel Crawford, Andreas Dreuw
Physical Chemistry Chemical Physics : PCCP
|
October 28, 2010
Symmetry breaking in the cyclic C(3)C(2)H radical
Benjamin Mintz, T Daniel Crawford
Journal of Chemical Theory and Computation
|
December 22, 2020
PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response Theory
Ruhee D'Cunha, T Daniel Crawford
The Journal of Physical Chemistry. A
|
January 4, 2017
Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response Theory
Ashutosh Kumar, 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
Page
of 12