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Bill Poirier

Showing results (41-50 of 53) with videos related to

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Scientific Reports|March 19, 2020
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicityJános Sarka, Bill Poirier, Viktor Szalay, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 25, 2021
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H<sub>2</sub>O isotopologues, H<sub>3</sub><sup>+</sup>, O<sub>3</sub>, and NH<sub>3</sub>János Sarka, Bill Poirier, Viktor Szalay, et al.
The Journal of Chemical Physics|April 15, 2019
Accurate characterization of the lowest triplet potential energy surface of SO<sub>2</sub> with a coupled cluster methodPraveen Kumar, Jacek Kłos, Bill Poirier, et al.
The Journal of Chemical Physics|April 23, 2018
A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)<sub>2</sub>(H<sub>2</sub>)(PEtPh<sub>2</sub>)<sub>3</sub> coordination complexMegan E Gonzalez, Juergen Eckert, Adelia J A Aquino, et al.
Journal of Chemical Theory and Computation|May 1, 2025
Development of Parallel On-the-Fly <i>Crystal</i> Algorithm for Reaction Discovery in Large and Complex Molecular SystemsAnkit Pandey, Gustavo J Costa, Mushfiq Alam, et al.
Journal of Chemical Theory and Computation|October 17, 2022
Adiabatic and Nonadiabatic Dynamics with Interacting Quantum TrajectoriesLucien Dupuy, Francesco Talotta, Federica Agostini, et al.
The Journal of Chemical Physics|July 16, 2018
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networksCorey Petty, Rene F K Spada, Francisco B C Machado, et al.
The Journal of Chemical Physics|June 3, 2016
Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]Jacek Kłos, Millard H Alexander, Praveen Kumar, et al.
The Journal of Chemical Physics|May 9, 2016
New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2Jacek Kłos, Millard H Alexander, Praveen Kumar, et al.
The Journal of Physical Chemistry. A|January 10, 2017
Photoabsorption Assignments for the C̃<sup>1</sup>B<sub>2</sub> ← X̃<sup>1</sup>A<sub>1</sub> Vibronic Transitions of SO<sub>2</sub>, Using New Ab Initio Potential Energy and Transition Dipole SurfacesPraveen Kumar, Bin Jiang, Hua Guo, et al.
Pageof 6

Showing results (41-50 of 53) with videos related to

Sort By:
Pageof 6
Scientific Reports|March 19, 2020
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicityJános Sarka, Bill Poirier, Viktor Szalay, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 25, 2021
On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H<sub>2</sub>O isotopologues, H<sub>3</sub><sup>+</sup>, O<sub>3</sub>, and NH<sub>3</sub>János Sarka, Bill Poirier, Viktor Szalay, et al.
The Journal of Chemical Physics|April 15, 2019
Accurate characterization of the lowest triplet potential energy surface of SO<sub>2</sub> with a coupled cluster methodPraveen Kumar, Jacek Kłos, Bill Poirier, et al.
The Journal of Chemical Physics|April 23, 2018
A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)<sub>2</sub>(H<sub>2</sub>)(PEtPh<sub>2</sub>)<sub>3</sub> coordination complexMegan E Gonzalez, Juergen Eckert, Adelia J A Aquino, et al.
Journal of Chemical Theory and Computation|May 1, 2025
Development of Parallel On-the-Fly <i>Crystal</i> Algorithm for Reaction Discovery in Large and Complex Molecular SystemsAnkit Pandey, Gustavo J Costa, Mushfiq Alam, et al.
Journal of Chemical Theory and Computation|October 17, 2022
Adiabatic and Nonadiabatic Dynamics with Interacting Quantum TrajectoriesLucien Dupuy, Francesco Talotta, Federica Agostini, et al.
The Journal of Chemical Physics|July 16, 2018
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networksCorey Petty, Rene F K Spada, Francisco B C Machado, et al.
The Journal of Chemical Physics|June 3, 2016
Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]Jacek Kłos, Millard H Alexander, Praveen Kumar, et al.
The Journal of Chemical Physics|May 9, 2016
New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2Jacek Kłos, Millard H Alexander, Praveen Kumar, et al.
The Journal of Physical Chemistry. A|January 10, 2017
Photoabsorption Assignments for the C̃<sup>1</sup>B<sub>2</sub> ← X̃<sup>1</sup>A<sub>1</sub> Vibronic Transitions of SO<sub>2</sub>, Using New Ab Initio Potential Energy and Transition Dipole SurfacesPraveen Kumar, Bin Jiang, Hua Guo, et al.
Pageof 6