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kw.\*:("CLOSED SHELL MOLECULE")

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MULTI-CONFIGURATIONAL COMPLEX MOLECULAR ORBITAL METHODHENDEKOVIC J.1979; CHEM. PHYS.; NLD; DA. 1979; VOL. 41; NO 1-2; PP. 67-80; BIBL. 12 REF.Article

RELATIVISTIC SYMMETRY SPINORS FOR POLYATOMICS. II.OREG J; MALLI G.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 5; PP. 1755-1763; BIBL. 2 REF.Article

A LINK BETWEEN THE SECOND-ORDER JAHN-TELLER EFFECT AND THE HIGHEST OCCUPIED MOLECULAR ORBITAL POSTULATE FOR MOLECULAR SHAPES.BAMZAI AS; DEB BM.1978; PRAMANA; IND; DA. 1978; VOL. 11; NO 2; PP. 191-194; BIBL. 16 REF.Article

MEASURES OF PARTIAL DISTANCE FOR CHARACTERIZATION OF ELECTRONIC STATES IN CONJUGATED MOLECULESMEHLHORN A; FRATEV F; MONEV V et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 89; NO 1-2; PP. 57-61; BIBL. 16 REF.Article

ELECTRON SCATTERING BY CLOSED OR OPEN SHELL DIATOMIC MOLECULESRASEEV G.1980; COMPUT. PHYS. COMMUN.; ISSN 0010-4655; NLD; DA. 1980; VOL. 20; NO 2; PP. 275-289; BIBL. 15 REF.Article

ZUM TRANSFORMATIONSVERHALTEN DER MATRIXELEMENTE IN EINEM MODIFIZIERTEN CNDO-FORMALISMUS BEI EINBEZIEHUNG VON D-FUNKTIONEN. = COMPORTEMENT DE TRANSFORMATION DES ELEMENTS DE MATRICE DANS UN FORMALISME CNDO MODIFIE AVEC INCLUSION DES FONCTIONS DBOHL M.1976; WISSENSCH. Z. FRIEDRICH-SCHILLER-UNIV. JENA, MATH.-NATURWISSENSCH. REIHE; DTSCH.; DA. 1976; VOL. 25; NO 6; PP. 797-805; ABS. RUSSE ANGL.; BIBL. 11 REF.Article

THE MNDOC METHOD, A CORRELATED VERSION OF THE MNDO MODELTHIEL W.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 6; PP. 1413-1420; BIBL. 41 REF.Article

ON THE PHYSICAL BASIS OF SEMI-EMPIRICAL SCF LCAO MO THEORIESNELSON PG.1980; J. CHEM. RES., SYNOPSES; GBR; DA. 1980; NO 3; PP. 106-107; BIBL. 9 REF.; SYNOPSIS;[J. CHEM. RES., M; GBR; DA. 1980; 1701-1760; BIBL. 69 REF.]Article

INSTABILITE DE HARTREE-FOCK EN RELATION AVEC LE COMPORTEMENT FLUCTUANT DE CERTAINES MOLECULES CONJUGUEESSIMKIN B YA; GLUKHOVTSEV MN; MINKIN VI et al.1980; DOKL. AKAD. NAUK SSSR; ISSN 0002-3264; SUN; DA. 1980; VOL. 250; NO 1; PP. 142-146; BIBL. 14 REF.Article

AN EFFICIENT APPROACH TO CI: GENERAL-MATRIX ELEMENT FORMULAS FOR SPIN-COUPLED PARTICLE-HOLE EXCITATIONSTAVAN P; SCHULTEN K.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 6; PP. 3547-3576; BIBL. 66 REF.Article

CORRELATION CORRECTIONS TO THE MOLECULAR DIPOLE MOMENT OF CLOSED SHELL MOLECULES VIA M NONOLLER-PLESSET PERTURBATION THEORYFIGEYS HP; GEERLINGS P; VAN ALSENOY C et al.1978; BULL. SOC. CHIM. BELGES; BEL; DA. 1978; VOL. 87; NO 5; PP. 349-357; BIBL. 28 REF.Article

A FAST CI METHOD FOR CLOSED SHELLSBENDAZZOLI GL; FANO G; ORTOLANI F et al.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 58; NO 1; PP. 132-136; BIBL. 8 REF.Article

APPLICATION OF MULTIPLE SCF PERTURBATION THEORY TO THE TENSORS WHICH DESCRIBE THE MAGNETIC SHIELDING AND THE MULTIPLE MAGNETIZABILITIES OF MOLECULES.RILEY JP; RAYNES WT.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 3; PP. 619-629; BIBL. 20 REF.Article

RESTRICTED HARTREE-FOCK APPROXIMATION. II: COMPUTATIONAL ASPECTS OF THE DIRECT MINIMIZATION PROCEDURERICO JF; PANIAGUA M; FERNANDEZ ALONSO JI et al.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 41-47; BIBL. 20 REF.Article

CLOSED SHELL HARTREE THEORY WITH ORTHONORMAL ORBITALSISHIKAWA Y.1980; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1980; VOL. 35; NO 4; PP. 408-411; BIBL. 11 REF.Article

THIRD VERSION OF A PROGRAM FOR CALCULATING THE STATIC INTERACTION POTENTIAL BETWEEN AN ELECTRON AND A DIATOMIC MOLECULERASEEV G.1980; COMPUT. PHYS. COMMUN.; ISSN 0010-4655; NLD; DA. 1980; VOL. 20; NO 2; PP. 267-274; BIBL. 5 REF.Article

THE CALCULATION OF INTERMOLECULAR FORCES. A CRITICAL EXAMINATION OF THE GORDON-KIM MODELCLUGSTON MJ.1978; ADV. IN PHYS.; GBR; DA. 1978; VOL. 27; NO 6; PP. 893-912; BIBL. 121 REF.Article

RELATIVISTIC SYMMETRY SPINORS FOR POLYATOMICS.OREG J; MALLI G.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 5; PP. 1746-1754; BIBL. DISSEM.Article

DIAGRAMMATIC MANY-BODY PERTURBATION EXPANSION FOR ATOMS AND MOLECULES IV: FOURTH-ORDER LINKED DIAGRAMS INVOLVING QUADRUPLY-EXCITED STATESWILSON S; SILVER DM.1979; COMPUTER PHYS. COMMUNIC.; NLD; DA. 1979; VOL. 17; NO 1-2; PP. 47-50; BIBL. 10 REF.Conference Paper

THE ROLE OF FOURTH-ORDER TERMS IN MBPT CALCULATIONS OF THE CORRELATION ENERGYKVASNICKA V; LAURINC V; BISKUPIC S et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 67; NO 1; PP. 81-86; BIBL. 23 REF.Article

A GENERAL MULTICONFIGURATIONAL PAIRED EXCITATION SELF-CONSISTENT FIELD THEORY (MC PE SCF).CARBO R; HERNANDEZ JA.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 47; NO 1; PP. 85-91; BIBL. 12 REF.Article

INTRINSIC CONVERGENCE IN CLOSED-SHELL SCF CALCULATIONS. A GENERAL CRITERIONSTANTON RE.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 11; PP. 5416-5422; BIBL. 16 REF.Article

THE MAGNETIC SUSCEPTIBILITY OF BHCORCORAN CT; HIRSCHFELDER JO.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 3; PP. 1524-1528; BIBL. 21 REF.Article

CALCULATION OF VERTICAL EXCITATION ENERGIES OF CLOSED-SHELL MOLECULES IN THE CNDO AND INDO APPROXIMATIONSLIEGENER CM.1980; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1980; VOL. 57; NO 3; PP. 219-231; BIBL. 43 REF.Article

EXPONENTIAL TRANSFORMATION OF MOLECULAR ORBITALS: A QUADRATICALLY CONVERGENT SCF PROCEDURE. I: GENERAL FORMULATION AND APPLICATION TO CLOSED-SHELL GROUND STATESDOUADY J; ELLINGER Y; SOBRA R et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 3; PP. 1452-1462; BIBL. 30 REF.Article

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