Stephan P. A. Sauer

Papers authored by Stephan P. A. Sauer

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2011 Gabriel I. Pagola, Marta B. Ferraro, Stefano Pelloni, Paolo Lazzeretti, Stephan P. A. Sauer

Erratum to: Electric field effects on nuclear spin–spin coupling tensors and chiral discrimination via NMR spectroscopy

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Vaida Arcisauskaite, Juan I. Melo, Lars Hemmingsen, Stephan P. A. Sauer

Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods

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Anders S. Christensen, Stephan P. A. Sauer

, Jan H. Jensen

Definitive Benchmark Study of Ring Current Effects on Amide Proton Chemical Shifts

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Emil Lindbäck, Óscar López, José G Fernández-Bolaños, Stephan P. A. Sauer

, Mikael Bols

An Isofagomine Analogue with an Amidine at the Pseudoanomeric Position

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Jesper Bendix

, Christian Anthon, Magnus Schau-Magnussen, Theis Brock-Nannestad, Johan Vibenholt, Muniza Rehman, Stephan P. A. Sauer

Heterobimetallic Nitride Complexes from Terminal Chromium(V) Nitride Complexes: Hyperfine Coupling Increases with Distance

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Teobald Kupka, Michał Stachów, Marzena Nieradka, Jakub Kaminsky, Tadeusz Pluta, Stephan P. A. Sauer

From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations

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Hanna Kjær, Stephan P. A. Sauer

, Jacob Kongsted, Yury Y.-U. Rusakov, Leonid B. Krivdin

Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin-spin coupling constants: Carbocycles

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Hanna Kjær, Stephan P. A. Sauer

, Jacob Kongsted

Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

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Stephan P. A. Sauer

, Jens Oddershede, John R. Sabin

Mean Excitation Energies for Biomolecules

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2010 Gabriel I. Pagola, Marta B. Ferraro, Stefano Pelloni, Paolo Lazzeretti, Stephan P. A. Sauer

Electric field effects on nuclear spin–spin coupling tensors and chiral discrimination via NMR spectroscopy

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John R. Sabin, Jens Oddershede, Remigio Cabrera-Trujillo, Stephan P. A. Sauer

, Erik Deumens, Yngve Öhrn

Stopping power of molecules for fast ions

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Stephan P. A. Sauer

Communication: Rotational g-factor and spin-rotation constant of CH+

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Hanna Kjaer, Stephan P. A. Sauer

, Jacob Kongsted

Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD

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Stephan P. A. Sauer

David M. Bishop: Esteemed Colleague and Dear Friend

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Patricio F. Provasi, Stephan P. A. Sauer

Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl

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Stephan P. A. Sauer

, Jens Oddershede, John R. Sabin

Mean Excitation Energies and Their Directional Characteristics for Energy Deposition by Swift Ions on the DNA and RNA Nucleobases†

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S. Bruun Ghalbia, S. P. A. Sauer

, J. Oddershede, J. R. Sabin

Comparison of the directional characteristics of swift ion excitation for two small biomolecules: Glycine and alanine

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Mario Ramos Silva, Stephan P. A. Sauer

, Marko Schreiber, Walter Thiel

Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2

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Mario R. Silva, Marko Schreiber, Stephan P. A. Sauer

, Walter Thiel

Benchmarks of electronically excited states : basis set effects on CASPT2 results

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P. F. Provasi, S. P. A. Sauer

Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals (vol 11, pg 3987, 2009)

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Papers authored by Stephan P. A. Sauer