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The Journal of Physical Chemistry. A
|
April 11, 2023
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
Ruhee D'Cunha, T Daniel Crawford, Mario Motta, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2014
Incremental evaluation of coupled cluster dipole polarizabilities
Joachim Friedrich, Harley R McAlexander, Ashutosh Kumar, et al.
The Journal of Physical Chemistry. A
|
November 6, 2012
The 1 3A' HCN and 1 3A' HCO+ vibrational frequencies and spectroscopic constants from quartic force fields
Ryan C Fortenberry, Xinchuan Huang, T Daniel Crawford, et al.
The Journal of Chemical Physics
|
March 23, 2026
A length-gauge origin-invariant approach to vibrational circular dichroism spectra without gauge-including atomic orbitals
Brendan M Shumberger, James R Cheeseman, Marco Caricato, et al.
The Journal of Physical Chemistry. A
|
March 4, 2008
Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effects
Partha P Bera, Yukio Yamaguchi, Henry F Schaefer, et al.
The Journal of Physical Chemistry. A
|
July 31, 2014
Quartic force field rovibrational analysis of protonated acetylene, C2H3(+), and its isotopologues
Ryan C Fortenberry, Xinchuan Huang, T Daniel Crawford, et al.
The Journal of Physical Chemistry. A
|
February 8, 2025
Real-Time Coupled Cluster Theory with Approximate Triples
Zhe Wang, Håkon Emil Kristiansen, Thomas Bondo Pedersen, et al.
The Journal of Physical Chemistry. B
|
January 14, 2021
Celebrating the 125th Anniversary of <i>The Journal of Physical Chemistry</i>
Joan-Emma Shea, T Daniel Crawford, Martin T Zanni, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Frozen-Density Embedding Potentials and Chiroptical Properties
T Daniel Crawford, Ashutosh Kumar, Kevin P Hannon, et al.
The Journal of Physical Chemistry. A
|
March 18, 2021
Evolving Sections of <i>The Journal of Physical Chemistry</i> to Reflect an Ever-Changing Field
Joan-Emma Shea, T Daniel Crawford, Martin T Zanni, et al.
Page
of 15
Search research articles
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Showing results (61-70 of 145) with videos related to
Sort By:
Page
of 15
The Journal of Physical Chemistry. A
|
April 11, 2023
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
Ruhee D'Cunha, T Daniel Crawford, Mario Motta, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2014
Incremental evaluation of coupled cluster dipole polarizabilities
Joachim Friedrich, Harley R McAlexander, Ashutosh Kumar, et al.
The Journal of Physical Chemistry. A
|
November 6, 2012
The 1 3A' HCN and 1 3A' HCO+ vibrational frequencies and spectroscopic constants from quartic force fields
Ryan C Fortenberry, Xinchuan Huang, T Daniel Crawford, et al.
The Journal of Chemical Physics
|
March 23, 2026
A length-gauge origin-invariant approach to vibrational circular dichroism spectra without gauge-including atomic orbitals
Brendan M Shumberger, James R Cheeseman, Marco Caricato, et al.
The Journal of Physical Chemistry. A
|
March 4, 2008
Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effects
Partha P Bera, Yukio Yamaguchi, Henry F Schaefer, et al.
The Journal of Physical Chemistry. A
|
July 31, 2014
Quartic force field rovibrational analysis of protonated acetylene, C2H3(+), and its isotopologues
Ryan C Fortenberry, Xinchuan Huang, T Daniel Crawford, et al.
The Journal of Physical Chemistry. A
|
February 8, 2025
Real-Time Coupled Cluster Theory with Approximate Triples
Zhe Wang, Håkon Emil Kristiansen, Thomas Bondo Pedersen, et al.
The Journal of Physical Chemistry. B
|
January 14, 2021
Celebrating the 125th Anniversary of <i>The Journal of Physical Chemistry</i>
Joan-Emma Shea, T Daniel Crawford, Martin T Zanni, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Frozen-Density Embedding Potentials and Chiroptical Properties
T Daniel Crawford, Ashutosh Kumar, Kevin P Hannon, et al.
The Journal of Physical Chemistry. A
|
March 18, 2021
Evolving Sections of <i>The Journal of Physical Chemistry</i> to Reflect an Ever-Changing Field
Joan-Emma Shea, T Daniel Crawford, Martin T Zanni, et al.
Page
of 15