Veröffentlichungen zu Wolinski, Krzysztof. | |||
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Wolinski, Krzysztof |
Magnetic shielding surface in molecules. Neutron as a probe in the hypothetical magnetic resonance spectroscopy In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 106, No. 14 (1997), p. 6061-6067 Zugang: zum Volltext ähnliche Vorschläge |
1997 |
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Wolinski, Krzysztof. |
Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 112, No. 23 (1990), p. 8251-8260 Zugang: zum Volltext ähnliche Vorschläge |
1990 |
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Wolinski, Krzysztof |
Moller-Plesset perturbation theory with two-configurational reference wavefunction in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 82 (6. 1992), p. 459-471 Zugang: zum Volltext ähnliche Vorschläge |
1992 |
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Janowski, Tomasz., Wolinski, Krzysztof. |
Relationship between magnetic shielding and magnetizability In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 117, No. 5 (2002), p. 1994-2002 Zugang: zum Volltext ähnliche Vorschläge |
2002 |
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Wolinski, Krzysztof., Pulay, Peter. |
Generalized Møller–Plesset perturbation theory: Second order results for two-configuration, open-shell excited singlet, and doublet wave functions In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 90, No. 7 (1989), p. 3647-3659 Zugang: zum Volltext ähnliche Vorschläge |
1989 |
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Wolinski, Krzysztof., Haacke, Robert., ... |
Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 18 (6. 1997), p. 816-825 Zugang: zum Volltext ähnliche Vorschläge |
1997 |
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Wolinski, Krzysztof, Roos, Björn O., ... |
Polarized basis sets and the calculation of infrared intensities from nuclear electric shielding tensors in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 68 (6. 1985), p. 431-444 Zugang: zum Volltext ähnliche Vorschläge |
1985 |
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Wolinski, Krzysztof., Hsu, Chih-Li., ... |
Hartree–Fock and second-order Møller–Plesset perturbation theory calculations of the 31P nuclear magnetic resonance shielding tensor in PH3 In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 99, No. 10 (1993), p. 7819-7824 Zugang: zum Volltext ähnliche Vorschläge |
1993 |
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Schafer, Lothar. |
Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptides In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 115, No. 1 (1993), p. 272-280 Zugang: zum Volltext ähnliche Vorschläge |
1993 |
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Andersson, Kerstin. |
Second-order perturbation theory with a CASSCF reference function In: The journal of physical chemistry Zugang: zum Volltext ähnliche Vorschläge |
1990 |