Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("MOLECULE COUCHE INCOMPLETE")

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 116

  • Page / 5
Export

Selection :

  • and

THE SPIN OPTIMIZED SEPARATED PAIR METHOD I. THEORY FOR 2N AND 2N-1 ELECTRON SYSTEMS.CARRINGTON PJ; DOGGETT G.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 30; NO 1; PP. 49-62; BIBL. 33 REF.Article

CONVERGENCE PROBLEMS IN THE SOLUTION OF SCF EQUATIONS.DEMENT'EV AI; STEPANOV NF; YAROVOI SS et al.1974; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 1; PP. 107-117; BIBL. 10 REF.Article

GREEN'S FUNCTIONS FOR OPEN-SHELL ATOMS AND MOLECULES.CEDERBAUM LS; SCHIRMER J.1974; Z. PHYS.; DTSCH.; DA. 1974; VOL. 271; NO 3; PP. 221-227; BIBL. 13 REF.Article

OPEN-SHELL GENERALIZED PERTURBATION THEORY.FREED KF.1974; CHEM. PHYS.; NETHERL.; DA. 1974; VOL. 4; NO 1; PP. 80-95; BIBL. 21 REF.Article

IONIZATION ENERGIES OF OPEN-SHELL MOLECULES IN THE FROZEN ORBITAL APPROXIMATION.COX PA.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 30; NO 2; PP. 389-403; BIBL. 27 REF.Article

GENAEHERTE LOESUNG DER HARTREE-FOCK-GLEICHUNGEN WECHSELWIRKENDER MOLEKUELE IM BEREICH DER GERINGEN UEBERLAPPUNG. I. DIE WECHSELWIRKUNGSENERGIE. = RESOLUTION APPROCHEE DES EQUATIONS DE HARTREE-FOCK DE MOLECULES EN INTERACTION DANS LE DOMAINE DE FAIBLE RECOUVREMENT. I. ENERGIE D'INTERACTIONBACHLER V; MARK F; POLANSKY OE et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 37; NO 4; PP. 285-303; ABS. ANGL.; BIBL. 21 REF.Article

OPEN SHELL SCF CALCULATIONS FOR NON-ORTHOGONAL BASIS FUNCTIONSCOBB JC; HINCHLIFFE A.1973; J. MOLEC. STRUCT.; NETHERL.; DA. 1973; VOL. 15; NO 1; PP. 1-5; BIBL. 3 REF.Serial Issue

RELATIVISTIC SELF-CONSISTENT FIELD (RSCF) THEORY FOR OPEN-SHELL MOLECULESMALLI G.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 73; NO 3; PP. 510-513; BIBL. 17 REF.Article

DENSITY MATRIX IN THE OPEN SHELL THEORY.MESTECHKIN MM; WHYMAN GE.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 5; PP. 761-773; ABS. FR. ALLEM.; BIBL. 9 REF.Article

SPIN PROJECTION OF SINGLE DETERMINANT WAVEFUNCTIONS.PHILLIPS DH; SCHUG JC.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 3; PP. 1031-1039; BIBL. 16 REF.Article

ARE THE SOLUTIONS OF GENERALIZED LIOUVILLE EQUATIONS REALLY DENSITY MATRICES.LENDI K.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 67; NO 10; PP. 4774-4775; BIBL. 7 REF.Article

COMPLEX MOLECULAR ORBITAL METHOD: OPENSHELL THEORY.HENDEKOVIC J.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 1025-1035; ABS. FR. ALLEM.; BIBL. 46 REF.Article

CORRELATION PROBLEME IN OPEN-SHELL ATOMS AND MOLECULES. A NON-PERTURBATIVE LINKED CLUSTER FORMULATION.DEBASHIS MUKHERJEE; RAJKUMAR MOITRA; ATRI MUKHOPADHYAY et al.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 30; NO 6; PP. 1861-1888; BIBL. 8 REF.Article

NUMERICAL VALIDATION OF THE MANY-ELECTRON THEORY OF SINANOGLU: ATOMIC QUADRUPOLE MOMENTS.MCCAVERT P.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 35; NO 1; PP. 21-24; BIBL. 23 REF.Article

ELECTRON PROPAGATOR CALCULATIONS OF THE PHOTOELECTRON SPECTRUM FOR OPEN SHELL MOLECULES WITH APPLICATIONS TO THE OXYGEN MOLECULE.PURVIS GD; OEHRN Y.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 6; PP. 2045-2049; BIBL. 18 REF.Article

THE CALCULATION OF SPIN-RESTRICTED SINGLE-DETERMINANT WAVEFUNCTIONS.BINKLEY JS; POPLE JA; DOBOSH PA et al.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 28; NO 6; PP. 1423-1429; BIBL. 13 REF.Article

AN OPEN-SHELL SCF PROGRAM FOR USE IN AB INITIO GAUSSIAN-TYPE CALCULATIONSMACAULAY R; GOUTIER D.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 18; NO 4; PP. 501-502; BIBL. 7 REF.Serial Issue

A COMPARISON OF DIFFERENT METHODS IN DETERMINING ENERGIES AND GEOMETRIES OF OPEN-SHELL SYSTEMS.BAIRD NC; BARR RF.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 36; NO 2; PP. 125-134; BIBL. 6 REF.Article

Electronic structures and reaction dynamics of open-shell speciesPCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 23, issn 1463-9076, 91 p.Serial Issue

Comparison of the T1 and D1 diagnostics for electronic structure theory: a new definition for the open-shell D1 diagnosticLEE, Timothy J.Chemical physics letters. 2003, Vol 372, Num 3-4, pp 362-367, issn 0009-2614, 6 p.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

ON THE USE OF UHF ORBITALS IN IONIZATION ENERGY CALCULATIONSBISKUPIC S.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 54; NO 1; PP. 15-21; BIBL. 18 REF.Article

DISTRIBUTION OF ODD-ELECTRONS IN GROUND-STATE MOLECULES.TAKATSUKA K; FUENO T; YAMAGUCHI K et al.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 48; NO 3; PP. 175-183; BIBL. 19 REF.Article

OCCUPATION NUMBER DEPENDENCE OF MOLECULAR ENERGY LEVELS.DE GIAMBIAGI MS; GIAMBIAGI M; FERREIRA R et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 52; NO 1; PP. 80-85; BIBL. 27 REF.Article

  • Page / 5