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The Journal of Chemical Physics
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October 25, 2023
A route to high-accuracy ab initio description of electronic excited states in high-spin lanthanide-containing species: A case study of GdO
Alexander N Smirnov, Victor G Solomonik
Journal of Chemical Theory and Computation
|
September 20, 2017
Toward Chemical Accuracy in ab Initio Thermochemistry and Spectroscopy of Lanthanide Compounds: Assessing Core-Valence Correlation, Second-Order Spin-Orbit Coupling, and Higher Order Effects in Lanthanide Diatomics
Victor G Solomonik, Alexander N Smirnov
Physical Chemistry Chemical Physics : PCCP
|
September 18, 2024
Composite <i>ab initio</i> vibrational spectroscopy and thermochemistry of low-valency lanthanide compounds: europium dihalides EuX<sub>2</sub> (X = F, Cl, Br, I)
Alexander N Smirnov, Victor G Solomonik
The Journal of Chemical Physics
|
April 20, 2005
Approaching the basis set limit for transition metal compounds with highly polar bonds: a benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra
Victor G Solomonik, John F Stanton, James E Boggs
The Journal of Chemical Physics
|
April 17, 2016
Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2
Victor G Solomonik, Alexander N Smirnov, Ilya S Navarkin
The Journal of Chemical Physics
|
July 8, 2008
Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods
Victor G Solomonik, John F Stanton, James E Boggs
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2019
Spectroscopy of YO from first principles
Alexander N Smirnov, Victor G Solomonik, Sergei N Yurchenko, et al.
The Journal of Chemical Physics
|
April 3, 2021
Strong static and dynamic Jahn-Teller and pseudo-Jahn-Teller effects in niobium tetrafluoride
Oleg A Vasilyev, Krishna R Nandipati, Ilya S Navarkin, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 25, 2023
A route to high-accuracy ab initio description of electronic excited states in high-spin lanthanide-containing species: A case study of GdO
Alexander N Smirnov, Victor G Solomonik
Journal of Chemical Theory and Computation
|
September 20, 2017
Toward Chemical Accuracy in ab Initio Thermochemistry and Spectroscopy of Lanthanide Compounds: Assessing Core-Valence Correlation, Second-Order Spin-Orbit Coupling, and Higher Order Effects in Lanthanide Diatomics
Victor G Solomonik, Alexander N Smirnov
Physical Chemistry Chemical Physics : PCCP
|
September 18, 2024
Composite <i>ab initio</i> vibrational spectroscopy and thermochemistry of low-valency lanthanide compounds: europium dihalides EuX<sub>2</sub> (X = F, Cl, Br, I)
Alexander N Smirnov, Victor G Solomonik
The Journal of Chemical Physics
|
April 20, 2005
Approaching the basis set limit for transition metal compounds with highly polar bonds: a benchmark coupled-cluster study of the ScF3 and FeF3 molecular structures and spectra
Victor G Solomonik, John F Stanton, James E Boggs
The Journal of Chemical Physics
|
April 17, 2016
Composite vibrational spectroscopy of the group 12 difluorides: ZnF2, CdF2, and HgF2
Victor G Solomonik, Alexander N Smirnov, Ilya S Navarkin
The Journal of Chemical Physics
|
July 8, 2008
Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods
Victor G Solomonik, John F Stanton, James E Boggs
Physical Chemistry Chemical Physics : PCCP
|
October 11, 2019
Spectroscopy of YO from first principles
Alexander N Smirnov, Victor G Solomonik, Sergei N Yurchenko, et al.
The Journal of Chemical Physics
|
April 3, 2021
Strong static and dynamic Jahn-Teller and pseudo-Jahn-Teller effects in niobium tetrafluoride
Oleg A Vasilyev, Krishna R Nandipati, Ilya S Navarkin, et al.
Page
of 1