Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("BASIS SET SIZE")

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 2465

  • Page / 99

Export

Selection :

  • and

SIMPLE RELATIONSHIP BETWEEN TOTAL MOLECULAR CORRELATION ENERGIES AND LMO SIZESPETERSON MR; POIRIER RA; DAUDEL R et al.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 1; PP. 25-31; ABS. FRE/GER; BIBL. 14 REF.Article

AN OPTIMUM MINIMAL BASIS OF EXPONENTIAL ATOMIC ORBITALS.COOK DB.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 4; PP. 331-336; BIBL. 3 REF.Article

GEOMETRY OF DENSITY MATRICES. IV: THE RELATIONSHIP BETWEEN DENSITY MATRICES AND DENSITIESHARRIMAN JE.1983; PHYSICAL REVIEW. A. GENERAL PHYSICS; ISSN 0556-2791; USA; DA. 1983; VOL. 27; NO 2; PP. 632-645; BIBL. 15 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

BASIS SET CONSIDERATIONS FOR THE CALCULATION OF GRADIENTS IN THE LCAO FORMALISMALMLOF J; HELGAKER T.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 83; NO 1; PP. 125-128; BIBL. 14 REF.Article

AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS. GENERALIZATION AND CHARACTERISTICS OF FLOATING SPHERICAL GAUSSIAN BASIS SETS.MAGGIORA GM; CHRISTOFFERSEN RE.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 26; PP. 8325-8332; BIBL. 78 REF.Article

A STUDY OF LOEWDIN'S CRITERION FOR COMPLETENESS OF BASIS SETS.LEOPOLD JG; COHEN M; KATRIEL J et al.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 1049-1056; ABS. FR. ALLEM.; BIBL. 6 REF.Article

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

CONSTRUCTION OF OPTIMAL BASIS SETS IN APPROXIMATE THEORIES OF THE ELECTRONIC STRUCTURE OF MOLECULES: WEIGHTED LOEWDIN ORTHOGONALIZATIONMAKSIC ZB.1981; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1981; VOL. 36; NO 4; PP. 373-377; BIBL. 23 REF.Article

CHOIX D'UNE BASE TRONQUEE OPTIMALE DANS LE CADRE DE LA METHODE DE MESOMERIEHO NAM TRAN; DE REYFF C.1980; J. CHIM. PHYS. PHYSICOCHIM. BIOL.; ISSN 0021-7689; FRA; DA. 1980; VOL. 77; NO 11-12; PP. 979-985; ABS. ENG; BIBL. 10 REF.Article

DIFFERENTIAL EQUATION FORMULATION OF CORRECTIONS TO AN INCOMPLETE BASIS SETMCDOWELL K.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 6; PP. 3148-3149; BIBL. 3 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

Extended floating spherical gaussian basis sets for molecules. Generation procedure and results for H2OADAMOWICZ, L; BARTLETT, R. J.Chemical physics letters. 1984, Vol 105, Num 2, pp 167-170, issn 0009-2614Article

SO2...HF. AN AB INITIO STUDYFRIEDLANDER ME; HOWELL JM; SAPSE AM et al.1983; INORGANIC CHEMISTRY; ISSN 0020-1669; USA; DA. 1983; VOL. 22; NO 1; PP. 100-103; BIBL. 25 REF.Article

UNUSUAL LOW-ENERGY ISOMERS OF THE ETHANOL AND DIMETHYL ETHER RADICAL CATIONSBOUMA WJ; NOBES RH; RADOM L et al.1983; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1983; VOL. 105; NO 7; PP. 1743-1746; BIBL. 27 REF.Article

CARBENIUM-CARBONIUM STRUCTURES, H2C+-CH4+, FOR THE ETHANE DICATIONVON RAGUE SCHLEYER P; JOS KJ; POPLE JA et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 13; PP. 3771-3773; BIBL. 11 REF.Article

ELECTRIC PROPERTIES OF NEGATIVE IONS. DIPOLE HYPERPOLARIZABILITY OF THE FLUORIDE IONDIERCKSEN GHF; SADLEJ AJ.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 8; PP. 4293-4294; BIBL. 24 REF.Article

MOLECULAR ORBITAL THEORIES AND THE STRUCTURAL PROPERTIES OF MOLECULESPOPLE JA.1982; BERICHTE DER BUNSENGESELLSCHAFT FUER PHYSIKALISCHE CHEMIE; ISSN 0005-9021; DEU; DA. 1982; VOL. 86; NO 9; PP. 806-811; BIBL. 16 REF.Article

WHY DOES THE DIATOMICS-IN-MOLECULES METHOD APPEAR TO FAIL FOR H4!KUNTZ PJ; CHANG CC.1982; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 7; PP. 1212-1213; BIBL. 15 REF.Article

AN AB INITIO STUDY OF THE STRUCTURE AND TORSIONAL MODES OF THE H2SO4 MOLECULELOHR LL JR.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 87; NO 3; PP. 221-227; BIBL. 7 REF.Article

BASIS SET DEPENDENCE OF THE CALCULATED GEOMETRY OF HNCOGLIDEWELL C; THOMSON C.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 86; NO 4; PP. 340-342; BIBL. 18 REF.Article

SCALING IN SECOND-ORDER ELECTRON CORRELATION CALCULATIONS USING SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS SETSWILSON S.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 59; NO 1; PP. 71-80; BIBL. 30 REF.Article

THE VINYLIDENE-ACETYLENE ISOMERIZATION BARRIERRAGHAVACHARI KRISHNAN; FRISCH MJ; POPLE JA et al.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 79; NO 3; PP. 408-411; BIBL. 17 REF.Article

BASIS SET GENERATION FOR THE SCF CALCULATIONADAMOWICZ L.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 4; PP. 545-551; BIBL. 9 REF.Article

CONVERGENCE OF THE STABILISATION METHOD: STARK RESONANCESMACIAS A; RIERA A.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 14; PP. L449-L453; BIBL. 15 REF.Article

  • Page / 99