Pascal and Francis Bibliographic Databases

Help

Search results

Your search

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

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 156

  • Page / 7
Export

Selection :

  • and

ORBITAL ENERGIES IN OPEN SHELL SYSTEMS.SAUER J; JUNG C; HAFFE HH et al.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 1; PP. 495-496; BIBL. 8 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

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

RESTRICTED HARTREE-FOCK METHOD INSTABILITYMESTECHKIN MM.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 13; NO 4; PP. 469-481; ABS. FRE/GER; BIBL. 18 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

HIGHER ORDER SPIN-ORBIT DISTORTION OF THE ISOTROPIC HYPERFINE HAMILTONIAN IN HIGH MULTIPLICITY SIGMA ELECTRONIC STATESCHEUNG ASC; MERER AJ.1982; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1982; VOL. 46; NO 1; PP. 111-128; BIBL. 20 REF.Article

IMPROVED CONSTRUCTION OF COUPLING OPERATORISHIKAWA Y.1981; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1981; VOL. 36; NO 4; PP. 366-368; BIBL. 12 REF.Article

INTER-ELECTRON REPULSION INTEGRALS FOR THREE-OPEN-SHELL CONFIGURATIONS IN CUBIC SYMMETRYBIRD B; DAUL C; DAY P et al.1978; COMPUTER PHYS. COMMUNIC.; NLD; DA. 1978; VOL. 14; NO 3-4; PP. 273-285; BIBL. 14 REF.Article

ORTHOGONALITY CONSTRAINTS IN ELECTRON SCATTERING BY OPEN-SHELL TARGETS: COMMENTS ON A PAPER BY RILEY AND TRUHLAR.RESCIGNO TN.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 11; PP. 5255-5257; BIBL. 4 REF.Article

UN PROCEDIMENTO DI MINIMIZZAZIONE DIRETTA DELL'ENERGIA DI UNA MOLECOLA PER MEZZO DI UNA TRASFORMAZIONE ORTOGONALE DELLA BASE E SUE RELAZIONI CON ALTRI PROCEDIMENTI. = PROCEDE DE MINIMISATION DIRECTE DE L'ENERGIE D'UNE MOLECULE AU MOYEN D'UNE TRANSFORMATION ORTHOGONALE DE LA BASE ET SES RELATIONS AVEC D'AUTRES PROCEDESPOLEZZO S.1975; ATTI ACCAD. NAZION. LINCEI, R.C., R.C., CL. SCI. FIS. MAT. NAT.; ITAL.; DA. 1975 PARU 1976; VOL. 59; NO 5; PP. 438-444; ABS. ANGL.; BIBL. 6 REF.Article

CEPA CALCULATIONS ON OPEN-SHELL MOLECULES. I: OUTLINE OF THE METHODSTAEMMLER V; JAQUET R.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 59; NO 5; PP. 487-500; BIBL. 36 REF.Article

TWO-HOLE-ONE-PARTICLE CONFIGURATION INTERACTION APPROACH FOR THE IONIZATION OF OPEN-SHELL MOLECULES: APPLICATION TO NO2SCHIRMER J; CEDERBAUM LS; VON NIESSEN W et al.1981; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1981; VOL. 56; NO 3; PP. 285-302; BIBL. 27 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

ONE-ELECTRON HAMILTONIAN METHOD FOR OPEN-SHELL STATES.KUPRIEVICH VA; KLYMENKO VE.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 34; NO 5; PP. 1287-1294; BIBL. 17 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

USE OF NONCANONICAL ORBITALS IN MANY-BODY PERTURBATION THEORYMCDOWELL K.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 2; PP. 271-282; ABS. FRE/GER; BIBL. 13 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

A TREATMENT OF OPEN SHELLSBOUSCASSE L; JAFFE HH.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 12; PP. 4969-4973; BIBL. 23 REF.Article

CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS. VI. COUPLED-CLUSTER APPROACH TO OPEN-SHELL SYSTEMS.PALDUS J; CIZEK J; SAUTE M et al.1978; PHYS. REV., A; U.S.A.; DA. 1978; VOL. 17; NO 3; PP. 805-815; BIBL. 48 REF.Article

A CLUSTER EXPANSION FORMALISM FOR DIRECT CALCULATION OF IONISATION POTENTIAL AND EXCITATION ENERGY OF MANY ELECTRON SYSTEMS USING H-F GROUND STATE AS VACUUMMUKHERJEE D; MUKHOPADHYAY A; MOITRA RK et al.1978; Z. NATURFORSCH. A; DEU; DA. 1978; VOL. 33; NO 12; PP. 1549-1551; BIBL. 6 REF.Article

INTER-ELECTRON REPULSION INTEGRALS FOR THE THREE-OPEN-SHELL CONFIGURATIONS T15T2XEY AND T25T2XEY (X+Y=1-9).DAUL C; DAY P.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 33; NO 5; PP. 1421-1428; BIBL. 12 REF.Article

AN ALGORITHM FOR THE CONSTRUCTION OF FULLY SYMMETRY ADAPTED FOCK MATRICES FOR MOLECULAR HARTREE-FOCK CALCULATIONS.BAGUS PS; WAHLGREN UI.1977; COMPUTERS AND CHEM.; G.B.; DA. 1977; VOL. 1; NO 2; PP. 95-101; BIBL. 20 REF.Article

CALCULATIONS ON OPEN SHELL SMALL MOLECULES USING DIFFERENT GAUSSIAN ORBITALS FOR ELECTRONS WITH DIFFERENT SPINS.FARMER RG; PEACOCK TE.1977; AUSTRAL. J. CHEM.; AUSTRAL.; DA. 1977; VOL. 30; NO 5; PP. 933-941; BIBL. 35 REF.Article

  • Page / 7