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Krzysztof Wolinski

Veröffentlichungen von Krzysztof Wolinski zu Wolinski, Krzysztof. ->
weitere Veröffentlichungen von Krzysztof Wolinski:
Magnetic shielding surface in molecules. Neutron as a probe in the hypothetical magnetic resonance spectroscopy (1997)
Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations (1990)
Moller-Plesset perturbation theory with two-configurational reference wavefunction (1992)
Relationship between magnetic shielding and magnetizability (2002)
Generalized Møller–Plesset perturbation theory: Second order results for two-configuration, open-shell excited singlet, and doublet wave functions (1989)
Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization (1997)
Polarized basis sets and the calculation of infrared intensities from nuclear electric shielding tensors (1985)
Hartree–Fock and second-order Møller–Plesset perturbation theory calculations of the 31P nuclear magnetic resonance shielding tensor in PH3 (1993)
Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptides (1993)
Second-order perturbation theory with a CASSCF reference function (1990)
Veröffentlichungen zu Wolinski, Krzysztof.
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1
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
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1997
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2
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
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1990
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3
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
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1992
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4
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
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2002
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5
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
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1989
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6
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
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1997
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7
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
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1985
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8
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
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1993
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9
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
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1993
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10
Andersson, Kerstin. Second-order perturbation theory with a CASSCF reference function
In: The journal of physical chemistry . - Washington, DC : American Chemical Society, Vol. 94, No. 14 (1990), p. 5483-5488
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1990