THE EFFECT OF CHOICE OF BASIS SET IN MOLECULAR PSEUDOPOTENTIAL CALCULATIONS.HARKER AH.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 2; PP. 583-586; BIBL. 6 REF.Article

AB INITIO CALCULATIONS ON BORANE AND DIBORANE MOLECULES. THE LOCALIZED MOLECULAR ORBITALS OF DIBORANE.LARGO CABRERIZO J.1976; AN. QUIM.; ESP.; DA. 1976; VOL. 72; NO 4; PP. 315-321; ABS. ESP.; BIBL. 33 REF.Article

CALCULATION OF THE G_N(A) AUXILIARY FUNCTION IN GAUSSIAN ORBIT-ORBIT INTEGRALS.LO BWN; ANG YA.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 1087-1088; BIBL. 3 REF.Article

FLEXIBLE D BASIS SETS FOR SC THROUGH CURAPPE AK; SMEDLEY TA; GODDARD WA III et al.1981; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1981; VOL. 85; NO 18; PP. 2607-2611; BIBL. 6 REF.Article

DEUTERON QUADRUPOLE COUPLING IN MOLECULES.SNYDER LC.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 1; PP. 291-294; BIBL. 40 REF.Article

INTEGRALS OF GAUSSIAN AND CONTINUUM FUNCTIONS FOR POLYATOMIC MOLECULES. AN ADDITION THEOREM FOR SOLID HARMONIC GAUSSIANSSEEGER R.1982; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1982; VOL. 92; NO 5; PP. 493-497; BIBL. 17 REF.Article

C₂LI₆ STRUCTURAL ISOMERSKOS A; POPPINGER D; VON RAGUE SCHLEYER P et al.1980; TETRAHEDRON LETTERS; GBR; DA. 1980; VOL. 21; NO 22; PP. 2151-2154; BIBL. 11 REF.Article

GTO BASIS SETS FOR HEAVIER ELEMENTS.HUZINAGA S.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 9; PP. 4245; BIBL. 3 REF.Article

THEORETICAL CHALLENGE TO THE EXPERIMENTALLY DETERMINED GEOMETRICAL STRUCTURE OF DIMETHYLSILAETHYLENEYOSHIOKA Y; GODDARD JD; SCHAEFER HF III et al.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 9; PP. 2452-2453; BIBL. 14 REF.Article

EFFECTIVE CONVERGENCE TO COMPLETE ORBITAL BASES AND TO THE ATOMIC HARTREE-FOCK LIMIT THROUGH SYSTEMATIC SEQUENCES OF GAUSSIAN PRIMITIVESSCHMIDT MW; RUEDENBERG K.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 10; PP. 3951-3962; BIBL. 21 REF.Article

PROGRAMME POUR LE CALCUL DES INTEGRALES MOLECULAIRES A PARTIR DE FONCTIONS GAUSSIENNES CARTESIENNES GROUPEESPUPYSHEV VI; SIMKIN V YA.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 2; PP. 368-369; BIBL. 3 REF.Article

AN IMPROVED APPROACH FOR COMPUTING THE F_M(Y) FUNCTIONS ENCOUNTERED IN MOLECULAR QUANTUM MECHANICSJAKAB L.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 9; PP. 4421-4422; BIBL. 6 REF.Article

UNIFORM QUALITY GAUSSIAN BASIS SETS.MEZEY PG; KARI RE; CSIZMADIA et al.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 3; PP. 964-969; BIBL. 27 REF.Article

EMPLOI DES FONCTIONS GAUSSIENNES DANS LES CALCULS DE MECANIQUE QUANTIQUE DES MOLECULESZHOGOLEV DA.1975; FIZ. MOLEK., U.S.S.R.; S.S.S.R.; DA. 1975; VOL. 1; PP. 27-46; BIBL. 5 P. 1/2Article

PREPARATION OF SMALL ATOMIC GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONSANDZELM J; RADZIO ANDZELM E; KLOBUKOWSKI M et al.1983; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1983; VOL. 94; NO 1-2; PP. 197-199; BIBL. 5 REF.Article

THE MOLECULAR STRUCTURE OF TOLUENEPANG F; BOGGS JE; PULAY P et al.1980; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1980; VOL. 66; PP. 281-287; BIBL. 11 REF.Article

THE SIMULATED AB INITIO MOLECULAR ORBITAL (SAMO) METHOD: APPLICATION TO SECOND-ROW ELEMENTSDUKE BJ; O'LEARY B.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 69; NO 3; PP. 517-520; BIBL. 15 REF.Article

EFFICIENT EVALUATION OF MOLECULAR INTEGRALS OVER S, P, D, F GAUSSIAN BASIS SETSBENARD M; BARRY M.1979; COMPUTERS AND CHEM.; GBR; DA. 1979; VOL. 3; NO 2-4; PP. 121-124; BIBL. 17 REF.Article

ON THE USE OF SPATIAL SYMMETRY IN ATOMIC-INTEGRAL CALCULATIONS: AN EFFICIENT PERMUTATIONAL APPROACHLE ROUZO H.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 15; NO 1; PP. 57-71; ABS. FRE/GER; BIBL. 34 REF.Article

CUSP CONDITIONS WITH GAUSS TYPE BASIS FUNCTIONSYURTSEVER E; HINZE J.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 7; PP. 3431-3432; BIBL. 10 REF.Article

Gaussian basis sets for transition metals of the second seriesVEILLARD, A; DEDIEU, A.Theoretica chimica acta. 1984, Vol 65, Num 3, pp 215-218, issn 0040-5744Article

Cusped-gaussian molecular wavefunctions. IV: New integral routinesSTEINER, E.Journal of the Chemical Society. Faraday Transactions II. 1985, Num 7, pp 1101-1105, issn 0300-9238Article

A generalization of the Müntz-Szász theorem to floating exponents with applications to Gauss- and Slater-type functionsKLAHN, B.The Journal of chemical physics. 1985, Vol 83, Num 11, pp 5749-5753, 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

The ground state potential energy curve of Be₂: is the MBPT approach capable of predicting it?DIERCKSEN, G. H. F; KELLO, V; SADLEJ, A. J et al.Chemical physics. 1985, Vol 96, Num 1, pp 59-79, issn 0301-0104Article