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Results 1 to 25 of 3804

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THE N2 PROBLEM IN MOLECULAR CI CALCULATIONS.MEUNIER A; LEVY B; BERTHIER G et al.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 1061-1070; ABS. FR. ALLEM.; BIBL. 20 REF.Article

PRISE EN CONSIDERATION DES CONFIGURATIONS DOUBLEMENT EXCITEES DANS LA METHODE DE LA MATRICE DENSITELUZANOV AV.1975; TEOR. EKSPER. KHIM., U.S.S.R.; S.S.S.R.; DA. 1975; VOL. 11; NO 1; PP. 3-9; BIBL. 10 REF.Article

CONFIGURATION INTERACTION BY THE METHOD OF BONDED FUNCTIONS - SOME PRELIMINARY CALCULATIONS.DIERCKSEN GHF; SUTCLIFFE BT.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 34; NO 2; PP. 105-114; BIBL. 14 REF.Article

GROUP THEORETICAL APPROACH TO THE CONFIGURATION INTERACTION AND PERTURBATION THEORY CALCULATIONS FOR ATOMIC AND MOLECULAR SYSTEMS.PALDUS J.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 12; PP. 5321-5330; BIBL. 34 REF.Article

PHOTOIONIZATION OF THE (3S,3P:1P) STATE OF MAGNESIUM.THOMPSON DG; HIBBERT A; CHANDRA N et al.1974; J. PHYS., B; G.B.; DA. 1974; VOL. 7; NO 11; PP. 1298-1305; BIBL. 15 REF.Article

CLASSIFICATION OF CONFIGURATIONS AND THE DETERMINATION OF INTERACTING AND NONINTERACTING SPACES IN CONFIGURATION INTERACTIONMCLEAN AD; LIU B.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 3; PP. 1066-1078; BIBL. 7 REF.Serial Issue

STRONGLY BENT EXCITED STATES OF OZONE.GRIMBERT D; DEVAQUET A.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 27; NO 4; PP. 831-836; BIBL. 15 REF.Article

PROGRES RECENTS DANS L'INTERPRETATION DES CONFIGURATIONS 4FN(5D+6S) DES LANTHANIDES. II ETUDE PARAMETRIQUE DES CONFIGURATIONS.WYART JF; BLAISE J; CAMUS P et al.1974; PHYS. SCRIPTA; SUEDE; DA. 1974; VOL. 9; NO 6; PP. 325-330; ABS. ANGL.; BIBL. 24 REF.Article

Variational approach to configuration interactionCHASMAN, R. R.Physical review letters. 2005, Vol 95, Num 26, pp 262501.1-262501.4, issn 0031-9007Article

SENSITIVITY OF THE CURIE TEMPERATURE TO THE NUMBER OF NEAREST NEIGHBOURSBRAHMACHARI R; BHATTACHERJEE SB.1981; IND. J. PURE APPL. PHYS.; ISSN 0019-5596; IND; DA. 1981; VOL. 19; NO 1; PP. 71-72; BIBL. 8 REF.Article

COUPLING CONSTANTS IN THE DIRECT CONFIGURATION INTERACTION METHODDUCH W; KARWOWSKI J.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 51; NO 3; PP. 175-188; BIBL. 15 REF.Article

ON THE APPLICATION OF SELFCONSISTENT FIELD METHOD TO THE STATISTICAL MODEL "INT-1" OF THE INTERACTION OF LAYERS FOR POLYTYPIC STRUCTURES OF CRYSTALSKOZIELSKI MJ; TOMASZEWICZ A.1978; BULL. ACAD. POLON. SCI., SCI. MATH. ASTR. PHYS.; POL; DA. 1978; VOL. 26; NO 8; PP. 749-754; ABS. RUS; BIBL. 7 REF.Article

STUDY OF THE STRUCTURE OF MOLECULAR COMPLEXES. XIII. MONTE CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL.LIE GC; CLEMENTI E; YOSHIMINE M et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 6; PP. 2314-2323; BIBL. 32 REF.Article

COMBINED CI-HY STUDIES OF ATOMIC STATES. II. COMPACT WAVE FUNCTIONS FOR THE BE GROUND STATE.SIMS JS; HAGSTROM SA.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 1; PP. 149-156; ABS. FR. ALLEM.; BIBL. 17 REF.Article

APPLICATION DE LA METHODE D'HYBRIDATION DES CONFIGURATIONS AU CALCUL DE L'INTERACTION HYPERFINE DE CONTACT DANS LES IONS DU GROUPE FERMARTINENAS BP.1975; LITOV. FIZ. SBOR.; S.S.S.R.; DA. 1975; NO 1; PP. 21-25; ABS. LITU. ANGL.; BIBL. 9 REF.Article

ROLE DE L'INTERACTION DE CONFIGURATIONS DANS QUELQUES SPECTRES DE RAYONS XDEMEKHIN VF; SUKHORUKOV VL; BAJRACHNYJ YU I et al.1975; IZVEST. SIBIR. OTDEL. AKAD. NAUK S.S.S.R., KHIM. NAUK; S.S.S.R.; DA. 1975; NO 4; PP. 68-72; BIBL. 6 REF.Article

CALCULATION OF EXCITED SINGLET AND TRIPLET STATE POLARIZABILITIES USING THE CNDO/S CI METHOD. AN APPLICATION TO NAPHTHALENE.MEYER H; SCHULTE KW; SCHWEIG A et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 31; NO 1; PP. 187-191; BIBL. 31 REF.Article

CONFIGURATION INTERACTION CALCULATIONS ON THE NITROGEN MOLECULE.LANGHOFF SR; DAVIDSON ER.1974; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 1; PP. 61-72; BIBL. 11 REF.Article

LEVEL CROSSINGS IN INDO BENDING POTENTIALS FOR CO2.VAN CATLEDGE FA.1974; SPECTROSC. LETTERS; U.S.A.; DA. 1974; VOL. 7; NO 8; PP. 405-408; BIBL. 7 REF.Article

THE INFLUENCE OF ELECTRON CORRELATION ON GENERALIZED OSCILLATOR STRENGTHS FOR HE.BANYARD KE; SEDDON GJ.1974; J. PHYS. B; G.B.; DA. 1974; VOL. 7; NO 4; PP. 429-439; BIBL. 13 REF.Article

TRANSFORMATION PROPERTIES FOR MANY-ELECTRON WAVE FUNCTIONS WITH SPECIAL ATTENTION TO THE RELATION BETWEEN PAIR-CORRELATED DODS AND CONFIGURATION INTERACTION.WORMER PES; VAN DER AVOIRD A.1974; INTERNATION. J. QUANTUM. CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 5; PP. 715-732; ABS. FR. ALLEM.; BIBL. 28 REF.Article

AB INITIO CALCULATIONS FOR REACTION SURFACES INVOLVING FREE RADICALS.PEYERIMHOFF SD; BUENKER RJ.1974; BER. BUNSENGESELLSCH. PHYS. CHEM.; DTSCH.; DA. 1974; VOL. 78; NO 2; PP. 119-127; ABS. ALLEM.; BIBL. 14 REF.; (BERICHTSH. XI. INT. SYMP. FREIE RADIKALE; BERCHTESGADEN-KOENIGSSEE; 1973)Conference Paper

AN AB INITIO CALCULATION OF ENERGY LEVELS AND TRANSITION PROBABILITIES IN THE SPECTRUM OF ARI.WOODYARD JR SR; ALTICK PL.1974; J. PHYS. B; G.B.; DA. 1974; VOL. 7; NO 17; PP. 2298-2307; BIBL. 16 REF.Article

ENERGY-OPTIMIZED SPIN ORBITALS IN ACCURATE ELECTRONIC CALCULATIONSBUNGE CF.1973; PHYS. REV., A; U.S.A.; DA. 1973; VOL. 7; NO 1; PP. 15-20; BIBL. 25 REF.Serial Issue

LOCALIZED ORBITAL SCF AND CI STUDIES OF GROUND ELECTRONIC STATESWILHITE DL; WHITTEN JL.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 3; PP. 948-955; BIBL. 24 REF.Serial Issue

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