Search research articles
Contact Us
Filters
Showing results (51-60 of 120) with videos related to
Page
of 12
Sort By:
The Journal of Chemical Physics
|
June 1, 2026
On the importance of relativistic corrections to the vibrational averaging of molecular properties: A zeroth-order regular approximation study on selected mercury compounds
Louise Møller Jessen, Ronan Gleeson, Lars Hemmingsen, et al.
Organic & Biomolecular Chemistry
|
January 31, 2015
Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?
Jacob Ingemar Olsen, Stephan P A Sauer, Christian Marcus Pedersen, et al.
The Journal of Chemical Physics
|
November 9, 2010
Benchmarks of electronically excited states: basis set effects on CASPT2 results
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2020
NMR parameters of FNNF as a test for coupled-cluster methods: CCSDT shielding and CC3 spin-spin coupling
Michał Jaszuński, Stephan P A Sauer, Rasmus Faber, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3
Stephan P A Sauer, Marko Schreiber, Mario R Silva-Junior, et al.
The Journal of Physical Chemistry. A
|
May 29, 2020
Enhancing NMR Quantum Computation by Exploring Heavy Metal Complexes as Multiqubit Systems: A Theoretical Investigation
Jéssica Boreli Dos Reis Lino, Stephan P A Sauer, Teodorico Castro Ramalho
The Journal of Physical Chemistry. A
|
January 26, 2026
Comparative Thermochemistry and Kinetics of Bromine and Iodine Reactions with Atmospheric Mercury
Svend L Bager, Luna Zamok, Stephan P A Sauer, et al.
The Journal of Physical Chemistry. B
|
December 17, 2009
Mean excitation energies and energy deposition characteristics of bio-organic molecules
Shakeela Bruun-Ghalbia, Stephan P A Sauer, Jens Oddershede, et al.
The Journal of Chemical Physics
|
December 3, 2008
Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra
Keld L Bak, Stephan P A Sauer, Jens Oddershede, et al.
Page
of 12
Search research articles
Search
Showing results (51-60 of 120) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
June 1, 2026
On the importance of relativistic corrections to the vibrational averaging of molecular properties: A zeroth-order regular approximation study on selected mercury compounds
Louise Møller Jessen, Ronan Gleeson, Lars Hemmingsen, et al.
Organic & Biomolecular Chemistry
|
January 31, 2015
Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?
Jacob Ingemar Olsen, Stephan P A Sauer, Christian Marcus Pedersen, et al.
The Journal of Chemical Physics
|
November 9, 2010
Benchmarks of electronically excited states: basis set effects on CASPT2 results
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2020
NMR parameters of FNNF as a test for coupled-cluster methods: CCSDT shielding and CC3 spin-spin coupling
Michał Jaszuński, Stephan P A Sauer, Rasmus Faber, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3
Stephan P A Sauer, Marko Schreiber, Mario R Silva-Junior, et al.
The Journal of Physical Chemistry. A
|
May 29, 2020
Enhancing NMR Quantum Computation by Exploring Heavy Metal Complexes as Multiqubit Systems: A Theoretical Investigation
Jéssica Boreli Dos Reis Lino, Stephan P A Sauer, Teodorico Castro Ramalho
The Journal of Physical Chemistry. A
|
January 26, 2026
Comparative Thermochemistry and Kinetics of Bromine and Iodine Reactions with Atmospheric Mercury
Svend L Bager, Luna Zamok, Stephan P A Sauer, et al.
The Journal of Physical Chemistry. B
|
December 17, 2009
Mean excitation energies and energy deposition characteristics of bio-organic molecules
Shakeela Bruun-Ghalbia, Stephan P A Sauer, Jens Oddershede, et al.
The Journal of Chemical Physics
|
December 3, 2008
Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra
Keld L Bak, Stephan P A Sauer, Jens Oddershede, et al.
Page
of 12