Search research articles
Contact Us
Filters
Showing results (1-10 of 21) with videos related to
Page
of 3
Sort By:
The Journal of Chemical Physics
|
January 13, 2026
The weakly bound CO molecule adsorbed on the low-index CeO2 surfaces: A case for a CCSD(T) benchmark study using an embedded-cluster model
Juana Vázquez Quesada
Journal of Chemical Theory and Computation
|
November 27, 2015
Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy
Juana Vázquez, Michael E Harding, John F Stanton, et al.
The Journal of Chemical Physics
|
October 16, 2004
Triplet instability in doublet systems
Péter G Szalay, Juana Vázquez, Chris Simmons, et al.
The Journal of Physical Chemistry. A
|
June 26, 2026
High-Accuracy Extrapolated Ab Initio Thermochemistry of C<sub>3</sub>O, HC<sub>3</sub>O<sup>+</sup>, C<sub>3</sub>S, and HC<sub>3</sub>S<sup></sup>
Marvin Kolter, Juana Vázquez Quesada, Sven Thorwirth, et al.
The Journal of Physical Chemistry. A
|
July 9, 2009
High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes
Juana Vázquez, Michael E Harding, Jürgen Gauss, et al.
The Journal of Chemical Physics
|
December 11, 2024
CO adsorption on CeO2(111): A CCSD(T) benchmark study using an embedded-cluster model
Juana Vázquez Quesada, Sarah Bernart, Felix Studt, et al.
The Journal of Chemical Physics
|
December 23, 2009
A new experimental absolute nuclear magnetic shielding scale for oxygen based on the rotational hyperfine structure of H(2)(17)O
Cristina Puzzarini, Gabriele Cazzoli, Michael E Harding, et al.
The Journal of Chemical Physics
|
April 3, 2015
The hyperfine structure in the rotational spectra of D2(17)O and HD(17)O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen
Cristina Puzzarini, Gabriele Cazzoli, Michael E Harding, et al.
The Journal of Chemical Physics
|
August 3, 2011
Towards highly accurate ab initio thermochemistry of larger systems: benzene
Michael E Harding, Juana Vázquez, Jürgen Gauss, et al.
Journal of the American Chemical Society
|
November 19, 2004
Intermolecular charge transfer and hydrogen bonding in solid furan
Manuel Montejo, Amparo Navarro, Gordon J Kearley, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
January 13, 2026
The weakly bound CO molecule adsorbed on the low-index CeO2 surfaces: A case for a CCSD(T) benchmark study using an embedded-cluster model
Juana Vázquez Quesada
Journal of Chemical Theory and Computation
|
November 27, 2015
Vibrational Energy Levels via Finite-Basis Calculations Using a Quasi-Analytic Form of the Kinetic Energy
Juana Vázquez, Michael E Harding, John F Stanton, et al.
The Journal of Chemical Physics
|
October 16, 2004
Triplet instability in doublet systems
Péter G Szalay, Juana Vázquez, Chris Simmons, et al.
The Journal of Physical Chemistry. A
|
June 26, 2026
High-Accuracy Extrapolated Ab Initio Thermochemistry of C<sub>3</sub>O, HC<sub>3</sub>O<sup>+</sup>, C<sub>3</sub>S, and HC<sub>3</sub>S<sup></sup>
Marvin Kolter, Juana Vázquez Quesada, Sven Thorwirth, et al.
The Journal of Physical Chemistry. A
|
July 9, 2009
High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes
Juana Vázquez, Michael E Harding, Jürgen Gauss, et al.
The Journal of Chemical Physics
|
December 11, 2024
CO adsorption on CeO2(111): A CCSD(T) benchmark study using an embedded-cluster model
Juana Vázquez Quesada, Sarah Bernart, Felix Studt, et al.
The Journal of Chemical Physics
|
December 23, 2009
A new experimental absolute nuclear magnetic shielding scale for oxygen based on the rotational hyperfine structure of H(2)(17)O
Cristina Puzzarini, Gabriele Cazzoli, Michael E Harding, et al.
The Journal of Chemical Physics
|
April 3, 2015
The hyperfine structure in the rotational spectra of D2(17)O and HD(17)O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen
Cristina Puzzarini, Gabriele Cazzoli, Michael E Harding, et al.
The Journal of Chemical Physics
|
August 3, 2011
Towards highly accurate ab initio thermochemistry of larger systems: benzene
Michael E Harding, Juana Vázquez, Jürgen Gauss, et al.
Journal of the American Chemical Society
|
November 19, 2004
Intermolecular charge transfer and hydrogen bonding in solid furan
Manuel Montejo, Amparo Navarro, Gordon J Kearley, et al.
Page
of 3