Moller-plesset perturbation theory with two-configurational reference wavefunctionWOLINSKI, K.Theoretica chimica acta. 1992, Vol 82, Num 6, pp 459-471, issn 0040-5744Article

ELECTRIC-FIELD-VARIANT ORBITALS. EFV GTO BASIS SET FOR QUADRUPOLE POLARIZABILITY CALCULATIONSWOLINSKI K; SADLEJ AJ.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 64; NO 1; PP. 51-56; BIBL. 29 REF.Article

ON THE RELIABILITY OF THE MINDO/3 DIPOLE MOMENT DERIVATIVESWOLINSKI K; SADLEJ AJ.1979; J. MOLEC. STRUCT.; NLD; DA. 1979; VOL. 53; NO 2; PP. 287-295; BIBL. 26 REF.Article

SELF-CONSISTENT PERTURBATION THEORY OPEN-SHELL STATES IN PERTURBATION-DEPENDENT NON-ORTHOGONAL BASIS SETSWOLINSKI K; SADLEJ AJ.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 6; PP. 1419-1430; BIBL. 48 REF.Article

ELECTRIC-FIED-VARIANT ORBITALS. III: EXPLICIT FIELD-GRADIENT DEPENDENCE OF IONS OF STO'S AND THE CALCULATION OF ATOMIC QUADRUPOLE POLARIZABILITIESWOLINSKI K; SADLEJ AJ.1979; ACTA PHYS. POLON., A; ISSN 0587-4246; POL; DA. 1979; VOL. 56; NO 5; PP. 681-693; BIBL. 38 REF.Article

ELECTRIC-FIELD-VARIANT ORBITALS. IV: ATOMIC QUADRUPOLE SHIELDING FACTORSPRZERWA M; WOLINSKI K; SADLEJ AJ et al.1980; ACTA PHYS. POL., A; ISSN 0587-4246; POL; DA. 1980; VOL. 57; NO 6; PP. 893-899; BIBL. 18 REF.Article

Evaluation of the multipole-induced-multipole model : incremental dipole polarizabilities in the CH₄...He systemWOLINSKI, K; SADLEJ, A. J.Molecular physics (Print). 1992, Vol 75, Num 1, pp 221-231, issn 0026-8976Article

Efficient calculation of canonical MP2 energiesPULAY, P; SAEBO, S; WOLINSKI, K et al.Chemical physics letters. 2001, Vol 344, Num 5-6, pp 543-552, issn 0009-2614Article

Molecular quadrupole momentsWOLINSKI, K; SADLEJ, A. J; KARLSTROÊM, G et al.Molecular physics (Print). 1991, Vol 72, Num 2, pp 425-432, issn 0026-8976, 8 p.Article

Consistent generalization of the Møller-Plesset partitioning to open-shell and multiconfigurational SCF reference states in many-body perturbation theoryWOLINSKI, K; SELLERS, H. L; PULAY, P et al.Chemical physics letters. 1987, Vol 140, Num 3, pp 225-231, issn 0009-2614Article

Polarized basis sets and the calculation of infrared intensities from nuclear electric shielding tensorsWOLINSKI, K; ROOS, B. O; SADLEJ, A. J et al.Theoretica chimica acta. 1985, Vol 68, Num 6, pp 431-444, issn 0040-5744Article

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculationsWOLINSKI, K; HINTON, J. F; PULAY, P et al.Journal of the American Chemical Society. 1990, Vol 112, Num 23, pp 8251-8260, issn 0002-7863Article

Confidence intervals for orbital parameters determined polarimetricallyWOLINSKI, K. G; DOLAN, J. F.Monthly Notices of the Royal Astronomical Society. 1994, Vol 267, Num 1, pp 5-12, issn 0035-8711Article

Ab initio quantum mechanical calculation of the chemical shift anisotropy of the hydrogen atom in the (Hi2O)₁₇ clusterHINTON, J. F; GUTHRIE, P; PULAY, P et al.Journal of the American Chemical Society. 1992, Vol 114, Num 5, pp 1604-1605, issn 0002-7863Article

Ab initio quantum-mechanical chemical-shift calculations for the ²⁹Si nucleus in a variety of compoundsHINTON, J. F; GUTHRIE, P. L; PULAY, P et al.Journal of magnetic resonance. Series A (Print). 1993, Vol 103, Num 2, pp 188-190, issn 1064-1858Article

Hartree-Fock and second-order Møller-Plesset perturbation theory calculations of the ³¹P nuclear magnetic resonance shielding tensor in PH₃WOLINSKI, K; CHIH-LI HSU; HINTON, J. F et al.The Journal of chemical physics. 1993, Vol 99, Num 10, pp 7819-7824, issn 0021-9606Article

Crystal structures of 4,4'-dimethoxydithiophene and comparison with quantum mechanical calculationsPAULUS, E. F; SIAM, K; WOLINSKI, K et al.Journal of molecular structure. 1989, Vol 196, pp 171-179, issn 0022-2860, 9 p.Article

Second-order perturbation theory with a CASSCF reference functionANDERSSON, K; MALQVIST, P.-Å; ROOS, B. O et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 14, pp 5483-5488, issn 0022-3654Conference Paper

Ab initio quantum mechanical calculation of the nitrogen chemical-shift tensor of the imine moiety of benzylideneaniline and analogs of all-trans-retinylidenebutylimineHINTON, J. F; GUTHRIE, P. L; PULAY, P et al.Journal of magnetic resonance. 1992, Vol 96, Num 1, pp 154-158, issn 0022-2364Article

Environnement matériel et logiciel pour réseaux neuro-flous = Hardware and software environment for fuzzy neural networksWOLINSKI, K; GLORENNEC, P.-Y; L'AZOU, Y et al.Neural networks and their applications. International conferenceLes réseaux neuro-mimétiques et leurs applications. Journées internationales. 1992, pp 175-185, isbn 2-906899-79-8Conference Paper

Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptidesSCHÄFER, L; NEWTON, S. Q; MING CAO et al.Journal of the American Chemical Society. 1993, Vol 115, Num 1, pp 272-280, issn 0002-7863Article

Structure of 3,3'-dimethoxy-2,2'-bithiophene and comparison with quantum-mechanical calculationsPAULUS, E. F; DAMMEL, R; KÄMPF, G et al.Acta crystallographica. Section B, Structural science. 1988, Vol 44, Num 5, pp 509-512, issn 0108-7681Article