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	1.	Communication: Rotational g-factor and spin-rotation constant of CH+. [electronic resource] by Sauer, Stephan P A Producer: 20110222 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	On the discrepancy between theory and experiment for the F-F spin-spin coupling constant of difluoroethyne. [electronic resource] by Faber, Rasmus Sauer, Stephan P A Producer: 20130422 In: Physical chemistry chemical physics : PCCP vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Effective potential energy curves of the ground electronic state of CH+. [electronic resource] by Sauer, Stephan P A Špirko, Vladimír Producer: 20130624 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Pople Style Basis Sets for the Calculation of NMR Spin-Spin Coupling Constants: the 6-31G-J and 6-311G-J Basis Sets. [electronic resource] by Kjær, Hanna Sauer, Stephan P A Producer: 20151125 In: Journal of chemical theory and computation vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Non-empirical calculations of NMR indirect carbon-carbon coupling constants. Part 8--monocycloalkanes. [electronic resource] by Sauer, Stephan P A Krivdin, Leonid B Producer: 20050404 In: Magnetic resonance in chemistry : MRC vol. 42 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals. [electronic resource] by Provasi, Patricio F Sauer, Stephan P A Producer: 20090731 In: Physical chemistry chemical physics : PCCP vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Insight into the Mechanism of the Initial Reaction of an OH Radical with DNA/RNA Nucleobases: A Computational Investigation of Radiation Damage. [electronic resource] by Milhøj, Birgitte O Sauer, Stephan P A Producer: 20160608 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	On the Angular Dependence of the Vicinal Fluorine-Fluorine Coupling Constant in 1,2-Difluoroethane: Deviation from a Karplus-like Shape. [electronic resource] by Provasi, Patricio F Sauer, Stephan P A Producer: 20151205 In: Journal of chemical theory and computation vol. 2 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	The Effect of Solvation on the Radiation Damage Rate Constants for Adenine. [electronic resource] by Milhøj, Birgitte O Sauer, Stephan P A Producer: 20180115 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	The anomalous deuterium isotope effect in the NMR spectrum of methane: an analysis in localized molecular orbitals. [electronic resource] by Sauer, Stephan P A Provasi, Patricio F Producer: 20080731 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl. [electronic resource] by Provasi, Patricio F Sauer, Stephan P A Producer: 20101122 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Kinetics and Thermodynamics of the Reaction between the (•)OH Radical and Adenine: A Theoretical Investigation. [electronic resource] by Milhøj, Birgitte O Sauer, Stephan P A Producer: 20160321 In: The journal of physical chemistry. A vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: applications to the shielding constants of N-methylacetamide. [electronic resource] by Kjær, Hanna Sauer, Stephan P A Kongsted, Jacob Producer: 20110513 In: The Journal of chemical physics vol. 134 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Importance of Triples Contributions to NMR Spin-Spin Coupling Constants Computed at the CC3 and CCSDT Levels. [electronic resource] by Faber, Rasmus Sauer, Stephan P A Gauss, Jürgen Producer: 20180314 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Density functional and coupled cluster theory. [electronic resource] by Ligabue, Andrea Sauer, Stephan P A Lazzeretti, Paolo Producer: 20070627 In: The Journal of chemical physics vol. 126 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD. [electronic resource] by Kjaer, Hanna Sauer, Stephan P A Kongsted, Jacob Producer: 20110225 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	The coupling constant polarizability and hyperpolarizabilty of 1J(NH) in N-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation. [electronic resource] by Kjaer, Hanna Sauer, Stephan P A Kongsted, Jacob Producer: 20120221 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Optimized Basis Sets for Calculation of Electron Paramagnetic Resonance Hyperfine Coupling Constants: aug-cc-pVTZ-J for the 3d Atoms Sc-Zn. [electronic resource] by Hedegård, Erik Donovan Kongsted, Jacob Sauer, Stephan P A Producer: 20151125 In: Journal of chemical theory and computation vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Z-dependence of mean excitation energies for second and third row atoms and their ions. [electronic resource] by Sauer, Stephan P A Sabin, John R Oddershede, Jens Producer: 20180611 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Two-photon absorption cross sections: an investigation of the accuracy of calculated absolute and relative values. [electronic resource] by Nielsen, Christian B Rettrup, Sten Sauer, Stephan P A Producer: 20070731 In: The Journal of chemical physics vol. 124 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 70 results.