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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 8, 2008
The anomalous deuterium isotope effect in the NMR spectrum of methane: an analysis in localized molecular orbitals
Stephan P A Sauer, Patricio F Provasi
International Journal of Molecular Sciences
|
May 13, 2023
A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine
Kasper F Schaltz, Stephan P A Sauer
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 8, 2016
The Effect of Solvation on the Radiation Damage Rate Constants for Adenine
Birgitte O Milhøj, Stephan P A Sauer
Journal of Chemical Theory and Computation
|
December 4, 2015
On the Angular Dependence of the Vicinal Fluorine-Fluorine Coupling Constant in 1,2-Difluoroethane: Deviation from a Karplus-like Shape
Patricio F Provasi, Stephan P A Sauer
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2009
Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals
Patricio F Provasi, Stephan P A Sauer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 24, 2015
Insight into the Mechanism of the Initial Reaction of an OH Radical with DNA/RNA Nucleobases: A Computational Investigation of Radiation Damage
Birgitte O Milhøj, Stephan P A Sauer
The Journal of Chemical Physics
|
August 17, 2010
Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl
Patricio F Provasi, Stephan P A Sauer
International Journal of Molecular Sciences
|
November 27, 2024
Correction: Schaltz et al. A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine. <i>Int. J. Mol. Sci.</i> 2023, <i>24</i>, 8192
Kasper F Schaltz, Stephan P A Sauer
The Journal of Chemical Physics
|
June 24, 2020
Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: Aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D), and SOPPA levels
Maria W Jørgensen, Stephan P A Sauer
The Journal of Chemical Physics
|
February 2, 2011
Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: applications to the shielding constants of N-methylacetamide
Hanna Kjær, Stephan P A Sauer, Jacob Kongsted
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Showing results (11-20 of 120) with videos related to
Sort By:
Page
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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 8, 2008
The anomalous deuterium isotope effect in the NMR spectrum of methane: an analysis in localized molecular orbitals
Stephan P A Sauer, Patricio F Provasi
International Journal of Molecular Sciences
|
May 13, 2023
A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine
Kasper F Schaltz, Stephan P A Sauer
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 8, 2016
The Effect of Solvation on the Radiation Damage Rate Constants for Adenine
Birgitte O Milhøj, Stephan P A Sauer
Journal of Chemical Theory and Computation
|
December 4, 2015
On the Angular Dependence of the Vicinal Fluorine-Fluorine Coupling Constant in 1,2-Difluoroethane: Deviation from a Karplus-like Shape
Patricio F Provasi, Stephan P A Sauer
Physical Chemistry Chemical Physics : PCCP
|
May 15, 2009
Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals
Patricio F Provasi, Stephan P A Sauer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 24, 2015
Insight into the Mechanism of the Initial Reaction of an OH Radical with DNA/RNA Nucleobases: A Computational Investigation of Radiation Damage
Birgitte O Milhøj, Stephan P A Sauer
The Journal of Chemical Physics
|
August 17, 2010
Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl
Patricio F Provasi, Stephan P A Sauer
International Journal of Molecular Sciences
|
November 27, 2024
Correction: Schaltz et al. A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine. <i>Int. J. Mol. Sci.</i> 2023, <i>24</i>, 8192
Kasper F Schaltz, Stephan P A Sauer
The Journal of Chemical Physics
|
June 24, 2020
Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: Aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D), and SOPPA levels
Maria W Jørgensen, Stephan P A Sauer
The Journal of Chemical Physics
|
February 2, 2011
Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: applications to the shielding constants of N-methylacetamide
Hanna Kjær, Stephan P A Sauer, Jacob Kongsted
Page
of 12