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Molecular integrals over spherical Laguerre Gaussian-type functionsMATSUOKA, O.The Journal of chemical physics. 1990, Vol 92, Num 7, pp 4364-4371, issn 0021-9606Article

Fourth-order many-body perturbation-theory study of the electron-correlation contribution to polarizabilities of NeCERNUSAK, I; DIERCKSEN, G. H. F; SADLEJ, A. J et al.Physical review. A, General physics. 1986, Vol 33, Num 2, pp 814-823, issn 0556-2791Article

A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic GaussiansREINE, Simen; TELLGREN, Erik; HELGAKER, Trygve et al.PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 34, pp 4771-4779, issn 1463-9076, 9 p.Article

Analytic evaluation of multicenter integrals for Gaussian-type orbitalsBRINKMANN, K; KLEINDIENST, H.Journal of mathematical chemistry. 1991, Vol 6, Num 3, pp 267-279, issn 0259-9791Article

On the evaluation of Boys functions using downward recursion relationMAMEDOV, B. A.Journal of mathematical chemistry. 2004, Vol 36, Num 3, pp 301-306, issn 0259-9791, 6 p.Article

Directionality and stereodivergent aldol additions [1]NGUYEN TRONG ANH; ELKAÏM, L; THANH, B. T et al.Bulletin de la Société chimique de France. 1992, Num 5, pp 468-477, issn 0037-8968Article

On the comparison of results provided by different basis set quality criteriaSORDO, T. L; SORDO, J. A.Journal of molecular structure. Theochem. 1992, Vol 253, pp 17-23, issn 0166-1280Article

Strategies for massively parallel local-orbital-based electronic structure methodsPEDERSON, M. R; POREZAG, D. V; KORTUS, J et al.Physica status solidi. B. Basic research. 2000, Vol 217, Num 1, pp 197-218, issn 0370-1972Article

Ab initio calculations on the ground and low-lying electronic states of the Cl₃ radical : emission from Cl₃WRIGHT, T. G; BELL, A. J; FREY, J. G et al.Chemical physics letters. 1992, Vol 189, Num 4-5, pp 297-302, issn 0009-2614Article

Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactionsLOUSHIN, S. K; SHI-YI LIU; DYKSTRA, C. E et al.The Journal of chemical physics. 1986, Vol 84, Num 5, pp 2720-2725, issn 0021-9606Article

Calculation of molecular properties within the Landau gaugeFERRARO, M. B; HERR, T. E; LAZZERETTI, P et al.Physical review. A. 1992, Vol 45, Num 9, pp 6272-6281, issn 1050-2947Article

2¹P state of Be from exponentially correlated Gaussian functionsKOMASA, Jacek; RYCHLEWSKI, Jacek.Chemical physics letters. 2001, Vol 342, Num 1-2, pp 185-190, issn 0009-2614Article

LDA calculations using a basis of Gaussian orbitalsBRIDDON, P. R; JONES, R.Physica status solidi. B. Basic research. 2000, Vol 217, Num 1, pp 131-171, issn 0370-1972Article

General formula evaluation of the electron-repulsion integral (ERI) and its derivatives over Gaussian-type orbitals. II: ERI evaluation improvedISHIDA, K.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 2176-2181, issn 0021-9606Article

Moments of the electron-pair distribution function for first row diatomic moleculesAGUADO, M; SARASOLA, C; DOMINGUEZ, L et al.Journal of molecular structure. Theochem. 1992, Vol 253, pp 311-318, issn 0166-1280Article

Density matrices from densitiesSCHWARZ, W. H. E; MÜLLER, B.Chemical physics letters. 1990, Vol 166, Num 5-6, pp 621-626, issn 0009-2614Article

Algorithms of interaction between solid cluster electronic states and a crystal latticeLIVERTS, E. Z.Physica B, Condensed matter. 1990, Vol 167, Num 1, pp 85-89, 5 p.Article

Second and third derivatives of the linear combination of Gaussian type orbitals-local spin density energyFOURNIER, R.The Journal of chemical physics. 1990, Vol 92, Num 9, pp 5422-5429, issn 0021-9606, 8 p.Article

Use of the electrostatic potential at the molecular surface to interpret and predict nucleophilic processesSJOBERG, P; POLITZER, P.Journal of physical chemistry (1952). 1990, Vol 94, Num 10, pp 3959-3961, issn 0022-3654, 3 p.Article

Observation of UF₆^- in Xe matricesSHERROW, S. A.The Journal of chemical physics. 1989, Vol 90, Num 10, pp 5886-5887, issn 0021-9606, 2 p.Article

A linear combination of Gaussian-type orbitals (LCGTO) Xα study of ferrocene: the metal-to-ring distance and ionization potentialsROSCH, N; JORG, H.The Journal of chemical physics. 1986, Vol 84, Num 10, pp 5967-5968, issn 0021-9606Article

Computational investigation of the bi lone-pairs in monoclinic bismuth triborate BiB₃O₆JUN YANG; DOLG, Michael.PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 17, pp 2094-2102, issn 1463-9076, 9 p.Article

Well-tempered Gaussian basis sets for the calculation of matrix Hartree-Fock wavefunctionsHUZINAGA, S; KLOBUKOWSKI, M.Chemical physics letters. 1993, Vol 212, Num 3-4, pp 260-264, issn 0009-2614Article

6-311G is not of valence triple-zeta qualityGREV, R. S; SCHAEFER, H. F. III.The Journal of chemical physics. 1989, Vol 91, Num 11, pp 7305-7306, issn 0021-9606Article