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Physical Chemistry Chemical Physics : PCCP
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June 13, 2024
A highly accurate potential energy surface for carbonyl sulphide (OCS): how important are the <i>ab initio</i> calculations?
Alec Owens
The Journal of Chemical Physics
|
April 2, 2018
RichMol: A general variational approach for rovibrational molecular dynamics in external electric fields
Alec Owens, Andrey Yachmenev
The Journal of Chemical Physics
|
May 24, 2019
Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P<sub>2</sub>H<sub>2</sub>) and the deuterated species P<sub>2</sub>HD
Alec Owens, Sergei N Yurchenko
The Journal of Chemical Physics
|
February 20, 2021
Detecting handedness of spatially oriented molecules by Coulomb explosion imaging
Cem Saribal, Alec Owens, Andrey Yachmenev, et al.
Physical Review Letters
|
November 24, 2018
Climbing the Rotational Ladder to Chirality
Alec Owens, Andrey Yachmenev, Sergei N Yurchenko, et al.
The Journal of Chemical Physics
|
January 3, 2016
A global potential energy surface and dipole moment surface for silane
Alec Owens, Sergei N Yurchenko, Andrey Yachmenev, et al.
The Journal of Chemical Physics
|
June 4, 2020
Hierarchical machine learning of potential energy surfaces
Pavlo O Dral, Alec Owens, Alexey Dral, et al.
The Journal of Chemical Physics
|
July 3, 2017
Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels
Pavlo O Dral, Alec Owens, Sergei N Yurchenko, et al.
Physical Review Letters
|
January 11, 2020
Field-Induced Diastereomers for Chiral Separation
Andrey Yachmenev, Jolijn Onvlee, Emil Zak, et al.
The Journal of Chemical Physics
|
July 3, 2015
Accurate ab initio vibrational energies of methyl chloride
Alec Owens, Sergei N Yurchenko, Andrey Yachmenev, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
June 13, 2024
A highly accurate potential energy surface for carbonyl sulphide (OCS): how important are the <i>ab initio</i> calculations?
Alec Owens
The Journal of Chemical Physics
|
April 2, 2018
RichMol: A general variational approach for rovibrational molecular dynamics in external electric fields
Alec Owens, Andrey Yachmenev
The Journal of Chemical Physics
|
May 24, 2019
Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P<sub>2</sub>H<sub>2</sub>) and the deuterated species P<sub>2</sub>HD
Alec Owens, Sergei N Yurchenko
The Journal of Chemical Physics
|
February 20, 2021
Detecting handedness of spatially oriented molecules by Coulomb explosion imaging
Cem Saribal, Alec Owens, Andrey Yachmenev, et al.
Physical Review Letters
|
November 24, 2018
Climbing the Rotational Ladder to Chirality
Alec Owens, Andrey Yachmenev, Sergei N Yurchenko, et al.
The Journal of Chemical Physics
|
January 3, 2016
A global potential energy surface and dipole moment surface for silane
Alec Owens, Sergei N Yurchenko, Andrey Yachmenev, et al.
The Journal of Chemical Physics
|
June 4, 2020
Hierarchical machine learning of potential energy surfaces
Pavlo O Dral, Alec Owens, Alexey Dral, et al.
The Journal of Chemical Physics
|
July 3, 2017
Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels
Pavlo O Dral, Alec Owens, Sergei N Yurchenko, et al.
Physical Review Letters
|
January 11, 2020
Field-Induced Diastereomers for Chiral Separation
Andrey Yachmenev, Jolijn Onvlee, Emil Zak, et al.
The Journal of Chemical Physics
|
July 3, 2015
Accurate ab initio vibrational energies of methyl chloride
Alec Owens, Sergei N Yurchenko, Andrey Yachmenev, et al.
Page
of 2