Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("GAUSSIAN ORBITAL")

Document Type [dt]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Publication Year[py]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Discipline (document) [di]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Language

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Author Country

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Results 1 to 25 of 8291

  • Page / 332
Export

Selection :

  • and

SYSTEMATIC APPROACH TO EXTENDED EVEN-TEMPERED ORBITAL BASES FOR ATOMIC AND MOLECULAR CALCULATIONSFELLER DF; RUEDENBERG K.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 52; NO 3; PP. 231-251; BIBL. 18 REF.Article

SMALL GAUSSIAN BASIS SETS FOR AB INITIO CALCULATIONS ON LARGE MOLECULESMEHLER EL; PAUL CH.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 1; PP. 145-150; BIBL. 18 REF.Article

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 GN(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

LOWER BOUND MOLECULAR ORBITALS FOR H2+, HEH++, AND H3++.JOHNSON JW; POSHUSTA RD.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 5; PP. 885-894; ABS. FR. ALLEM.; BIBL. 34 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

ON THE GEOMETRY OF NAPO3SEN KD.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 2; PP. 1043-1044; BIBL. 9 REF.Article

CALCULATION OF INTEGRALS OVER AB INITIO PSEUDOPOTENTIALSMCMURCHIE LE; DAVIDSON ER.1981; J. COMPUT. PHYS.; ISSN 0021-9991; USA; DA. 1981; VOL. 44; NO 2; PP. 289-301; BIBL. 9 REF.Article

FOURIER TRANSFORMS OF GAUSSIAN ORBITAL PRODUCTS.CHANDLER GS; SPACKMAN MA.1978; ACTA CRYSTALLOGR., A; DANEM.; DA. 1978; VOL. 34; NO 2; PP. 341-343; BIBL. 12 REF.Article

EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS.DUPUIS M; RYS J; KING HF et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 1; PP. 111-116; BIBL. 20 REF.Article

GAUSSIAN EXPANSIONS OF HYDROGENIC FUNCTIONS INVOLVING FEW VARIATIONAL PARAMETERSTEN HOOR MJ.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 17; NO 6; PP. 1099-1110; ABS. FRE/GER; BIBL. 10 REF.Article

EVALUATION OF MOLECULAR INTEGRALS IN A BASIS OF TRAVELLING ORBITALSERREA LF; MENDEZ L; RIERA A et al.1979; J. PHYS. B; GBR; DA. 1979; VOL. 12; NO 1; PP. 69-82; BIBL. 24 REF.Article

SEMICLASSICAL GAUSSIAN BASIS SET METHOD FOR MOLECULAR VIBRATIONAL WAVE FUNCTIONSDAVIS MJ; HELLER EJ.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 8; PP. 3383-3395; BIBL. 19 REF.Article

CONSTRUCTION DE BASES DE FONCTIONS DE TYPE GAUSSIEN GROUPEESABASHKIN YU G; DEMENT'EV AI; RAMVIDI NG et al.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 5; PP. 790-795; BIBL. 5 REF.Article

SELF-CONSISTENT MOLECULAR ORBITAL METHODS. XIX. SPLIT-VALENCE GAUSSIAN-TYPE BASIS SETS FOR BERYLLIUM.BINKLEY JS; POPLE JA.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 2; PP. 879-880; BIBL. 8 REF.Article

THE COMPUTATION OF INTERMOLECULAR FORCES WITH GAUSSIAN BASIS FUNCTIONS. ILLUSTRATION WITH HE2.BURTON PG.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 67; NO 10; PP. 4696-4700; BIBL. 42 REF.Article

UNIFORM QUALITY CONSTRAINED GAUSSIAN BASIS SETS.MEZEY PG; CSIZMADIA IG.1977; CANAD. J. CHEM.; CANADA; DA. 1977; VOL. 55; NO 7; PP. 1181-1192; ABS. FR.; BIBL. 8 REF.Article

A WEAKLY BOUND, QUANTUM-MECHANICAL BURIDAN'S ASS.MOISEYEV N; KATRIEL J; TRINDLE C et al.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 12; NO 4; PP. 759-763; ABS. FR. ALLEM.; BIBL. 5 REF.Article

STRUCTURAL STUDIES USING MOLECULAR ORBITAL THEORY.POPLE JA.1976; BULL. SOC. CHIM. BELGES; BELG.; DA. 1976; VOL. 85; NO 6; PP. 347-361; BIBL. 33 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

  • Page / 332