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Journal of Chemical Theory and Computation
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June 18, 2024
Optimizing Conical Intersections without Explicit Use of Non-Adiabatic Couplings
Juan Sanz García, Rosa Maskri, Alexander Mitrushchenkov, et al.
The Journal of Chemical Physics
|
October 21, 2011
Accurate ab initio ro-vibronic spectroscopy of the X̃2Π CCN radical using explicitly correlated methods
J Grant Hill, Alexander Mitrushchenkov, Kazim E Yousaf, et al.
The Journal of Chemical Physics
|
July 9, 2021
Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)
Alec Owens, Victoria H J Clark, Alexander Mitrushchenkov, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R Manby, et al.
Inorganic Chemistry
|
May 1, 2014
Electronic structure of low-dimensional 4d(5) oxides: interplay of ligand distortions, overall lattice anisotropy, and spin-orbit interactions
Vamshi M Katukuri, Karla Roszeitis, Viktor Yushankhai, et al.
The Journal of Chemical Physics
|
April 17, 2020
The Molpro quantum chemistry package
Hans-Joachim Werner, Peter J Knowles, Frederick R Manby, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
June 18, 2024
Optimizing Conical Intersections without Explicit Use of Non-Adiabatic Couplings
Juan Sanz García, Rosa Maskri, Alexander Mitrushchenkov, et al.
The Journal of Chemical Physics
|
October 21, 2011
Accurate ab initio ro-vibronic spectroscopy of the X̃2Π CCN radical using explicitly correlated methods
J Grant Hill, Alexander Mitrushchenkov, Kazim E Yousaf, et al.
The Journal of Chemical Physics
|
July 9, 2021
Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)
Alec Owens, Victoria H J Clark, Alexander Mitrushchenkov, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R Manby, et al.
Inorganic Chemistry
|
May 1, 2014
Electronic structure of low-dimensional 4d(5) oxides: interplay of ligand distortions, overall lattice anisotropy, and spin-orbit interactions
Vamshi M Katukuri, Karla Roszeitis, Viktor Yushankhai, et al.
The Journal of Chemical Physics
|
April 17, 2020
The Molpro quantum chemistry package
Hans-Joachim Werner, Peter J Knowles, Frederick R Manby, et al.
Page
of 1