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Journal of Computational Chemistry
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April 8, 2026
Spectroscopic Investigation of Thioacrolein by Variational and Perturbational Approaches
Guntram Rauhut
The Journal of Chemical Physics
|
November 13, 2004
Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
Guntram Rauhut
The Journal of Chemical Physics
|
November 21, 2007
Configuration selection as a route towards efficient vibrational configuration interaction calculations
Guntram Rauhut
The Journal of Physical Chemistry. A
|
September 30, 2015
Anharmonic Franck-Condon Factors for the X̃(2)B1 ← X̃(1)A1 Photoionization of Ketene
Guntram Rauhut
The Journal of Chemical Physics
|
April 24, 2015
Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximations
Raghunathan Ramakrishnan, Guntram Rauhut
The Journal of Chemical Physics
|
March 9, 2021
Assignment of vibrational states within configuration interaction calculations
Tina Mathea, Guntram Rauhut
Journal of Chemical Theory and Computation
|
June 28, 2019
Localized Normal Coordinates in Accurate Vibrational Structure Calculations: Benchmarks for Small Molecules
Benjamin Ziegler, Guntram Rauhut
The Journal of Chemical Physics
|
April 8, 2017
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems
Taras Petrenko, Guntram Rauhut
The Journal of Physical Chemistry. A
|
March 28, 2019
Accurate Vibrational Configuration Interaction Calculations on Diborane and Its Isotopologues
Benjamin Ziegler, Guntram Rauhut
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2014
Pushing the limits in accurate vibrational structure calculations: anharmonic frequencies of lithium fluoride clusters (LiF)n, n = 2-10
Dominik Oschetzki, Guntram Rauhut
Page
of 10
Search research articles
Search
Showing results (1-10 of 92) with videos related to
Sort By:
Page
of 10
Journal of Computational Chemistry
|
April 8, 2026
Spectroscopic Investigation of Thioacrolein by Variational and Perturbational Approaches
Guntram Rauhut
The Journal of Chemical Physics
|
November 13, 2004
Efficient calculation of potential energy surfaces for the generation of vibrational wave functions
Guntram Rauhut
The Journal of Chemical Physics
|
November 21, 2007
Configuration selection as a route towards efficient vibrational configuration interaction calculations
Guntram Rauhut
The Journal of Physical Chemistry. A
|
September 30, 2015
Anharmonic Franck-Condon Factors for the X̃(2)B1 ← X̃(1)A1 Photoionization of Ketene
Guntram Rauhut
The Journal of Chemical Physics
|
April 24, 2015
Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximations
Raghunathan Ramakrishnan, Guntram Rauhut
The Journal of Chemical Physics
|
March 9, 2021
Assignment of vibrational states within configuration interaction calculations
Tina Mathea, Guntram Rauhut
Journal of Chemical Theory and Computation
|
June 28, 2019
Localized Normal Coordinates in Accurate Vibrational Structure Calculations: Benchmarks for Small Molecules
Benjamin Ziegler, Guntram Rauhut
The Journal of Chemical Physics
|
April 8, 2017
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems
Taras Petrenko, Guntram Rauhut
The Journal of Physical Chemistry. A
|
March 28, 2019
Accurate Vibrational Configuration Interaction Calculations on Diborane and Its Isotopologues
Benjamin Ziegler, Guntram Rauhut
Physical Chemistry Chemical Physics : PCCP
|
July 2, 2014
Pushing the limits in accurate vibrational structure calculations: anharmonic frequencies of lithium fluoride clusters (LiF)n, n = 2-10
Dominik Oschetzki, Guntram Rauhut
Page
of 10