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The Journal of Physical Chemistry. A
|
July 30, 2025
Semi-Classical Transition State Theory (SCTST) Rate Coefficients for the Reaction of H and H<sub>2</sub>O<sub>2</sub>: A High-Level Theoretical Study
Thanh Lam Nguyen, Mahshid Manouchehri, Jozef Peeters, et al.
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 Chemical Physics
|
August 4, 2025
Vibronic spectrum of pyrazine: New insights from multi-state-multi-mode simulations parameterized with equation-of-motion coupled-cluster methods
Paweł Wójcik, Hanna Reisler, John F Stanton, et al.
The Journal of Chemical Physics
|
October 9, 2017
Detection and structural characterization of nitrosamide H<sub>2</sub>NNO: A central intermediate in deNO<sub>x</sub> processes
Michael C McCarthy, Kin Long Kelvin Lee, John F Stanton
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
|
August 20, 2005
Coupled-cluster methods including noniterative corrections for quadruple excitations
Yannick J Bomble, John F Stanton, Mihály Kállay, et al.
The Journal of Physical Chemistry. A
|
September 17, 2016
Cation States of Ethane: HEAT Calculations and Vibronic Simulations of the Photoelectron Spectrum of Ethane
Kin Long Kelvin Lee, Scott M Rabidoux, John F Stanton
The Journal of Physical Chemistry. A
|
May 24, 2019
First-Principles Calculation of Jahn-Teller Rotational Distortion Parameters
Ketan Sharma, Scott Garner, Terry A Miller, et al.
Journal of Chemical Theory and Computation
|
October 10, 2018
Accuracy of Coupled Cluster Excited State Potential Energy Surfaces
Attila Tajti, John F Stanton, Devin A Matthews, et al.
Page
of 23
Search research articles
Search
Showing results (61-70 of 228) with videos related to
Sort By:
Page
of 23
The Journal of Physical Chemistry. A
|
July 30, 2025
Semi-Classical Transition State Theory (SCTST) Rate Coefficients for the Reaction of H and H<sub>2</sub>O<sub>2</sub>: A High-Level Theoretical Study
Thanh Lam Nguyen, Mahshid Manouchehri, Jozef Peeters, et al.
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 Chemical Physics
|
August 4, 2025
Vibronic spectrum of pyrazine: New insights from multi-state-multi-mode simulations parameterized with equation-of-motion coupled-cluster methods
Paweł Wójcik, Hanna Reisler, John F Stanton, et al.
The Journal of Chemical Physics
|
October 9, 2017
Detection and structural characterization of nitrosamide H<sub>2</sub>NNO: A central intermediate in deNO<sub>x</sub> processes
Michael C McCarthy, Kin Long Kelvin Lee, John F Stanton
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
|
August 20, 2005
Coupled-cluster methods including noniterative corrections for quadruple excitations
Yannick J Bomble, John F Stanton, Mihály Kállay, et al.
The Journal of Physical Chemistry. A
|
September 17, 2016
Cation States of Ethane: HEAT Calculations and Vibronic Simulations of the Photoelectron Spectrum of Ethane
Kin Long Kelvin Lee, Scott M Rabidoux, John F Stanton
The Journal of Physical Chemistry. A
|
May 24, 2019
First-Principles Calculation of Jahn-Teller Rotational Distortion Parameters
Ketan Sharma, Scott Garner, Terry A Miller, et al.
Journal of Chemical Theory and Computation
|
October 10, 2018
Accuracy of Coupled Cluster Excited State Potential Energy Surfaces
Attila Tajti, John F Stanton, Devin A Matthews, et al.
Page
of 23