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Stephan P A Sauer

Showing results (61-70 of 120) with videos related to

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The Journal of Chemical Physics|April 10, 2008
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3Marko Schreiber, Mario R Silva-Junior, Stephan P A Sauer, et al.
Magnetic Resonance in Chemistry : MRC|August 8, 2013
Halogen effect on structure and 13C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazolesKlaudia Radula-Janik, Teobald Kupka, Krzysztof Ejsmont, et al.
Computational and Structural Biotechnology Journal|January 29, 2021
Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenaseYusuf A Theibich, Stephan P A Sauer, Leila Lo Leggio, et al.
Journal of Computational Chemistry|October 3, 2019
Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation EnergiesPi A B Haase, Rasmus Faber, Patricio F Provasi, et al.
Journal of Chemical Theory and Computation|November 9, 2021
On the Unexpected Accuracy of the M06L Functional in the Calculation of <sup>1</sup><i>J</i><sub>FC</sub> Spin-Spin Coupling ConstantsMarinella de Giovanetti, Luis Felipe Ferraz Bitencourt, Rodrigo Cormanich, et al.
The Journal of Chemical Physics|February 20, 2008
Atomic partition of the optical rotatory power of methylhydroperoxideMarina Sánchez, Marta B Ferraro, Ibon Alkorta, et al.
The Journal of Chemical Physics|April 10, 2009
Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanicsAndreas Møgelhøj, Kestutis Aidas, Kurt V Mikkelsen, et al.
The Journal of Chemical Physics|May 22, 2024
Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energiesJuliane H Fuglsbjerg, Dániel Nagy, Hans Jørgen Aa Jensen, et al.
Journal of Computational Chemistry|November 29, 2018
The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H<sub>2</sub> O<sub>2</sub> , H<sub>2</sub> S<sub>2</sub> , H<sub>2</sub> Se<sub>2</sub> , and H<sub>2</sub> Te<sub>2</sub>Gabriel I Pagola, Martin A B Larsen, Marta Ferraro, et al.
JACS Au|August 29, 2025
Substantial Magnetic Fields Arising from Ballistic Ring Currents in Single-Molecule JunctionsWilliam Bro-Jørgensen, Stephan P A Sauer, Gemma C Solomon, et al.
Pageof 12

Showing results (61-70 of 120) with videos related to

Sort By:
Pageof 12
The Journal of Chemical Physics|April 10, 2008
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3Marko Schreiber, Mario R Silva-Junior, Stephan P A Sauer, et al.
Magnetic Resonance in Chemistry : MRC|August 8, 2013
Halogen effect on structure and 13C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazolesKlaudia Radula-Janik, Teobald Kupka, Krzysztof Ejsmont, et al.
Computational and Structural Biotechnology Journal|January 29, 2021
Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenaseYusuf A Theibich, Stephan P A Sauer, Leila Lo Leggio, et al.
Journal of Computational Chemistry|October 3, 2019
Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation EnergiesPi A B Haase, Rasmus Faber, Patricio F Provasi, et al.
Journal of Chemical Theory and Computation|November 9, 2021
On the Unexpected Accuracy of the M06L Functional in the Calculation of <sup>1</sup><i>J</i><sub>FC</sub> Spin-Spin Coupling ConstantsMarinella de Giovanetti, Luis Felipe Ferraz Bitencourt, Rodrigo Cormanich, et al.
The Journal of Chemical Physics|February 20, 2008
Atomic partition of the optical rotatory power of methylhydroperoxideMarina Sánchez, Marta B Ferraro, Ibon Alkorta, et al.
The Journal of Chemical Physics|April 10, 2009
Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanicsAndreas Møgelhøj, Kestutis Aidas, Kurt V Mikkelsen, et al.
The Journal of Chemical Physics|May 22, 2024
Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energiesJuliane H Fuglsbjerg, Dániel Nagy, Hans Jørgen Aa Jensen, et al.
Journal of Computational Chemistry|November 29, 2018
The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H<sub>2</sub> O<sub>2</sub> , H<sub>2</sub> S<sub>2</sub> , H<sub>2</sub> Se<sub>2</sub> , and H<sub>2</sub> Te<sub>2</sub>Gabriel I Pagola, Martin A B Larsen, Marta Ferraro, et al.
JACS Au|August 29, 2025
Substantial Magnetic Fields Arising from Ballistic Ring Currents in Single-Molecule JunctionsWilliam Bro-Jørgensen, Stephan P A Sauer, Gemma C Solomon, et al.
Pageof 12