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La ricerca find articoli where soggetti phrase all words 'VALENCE BOND THEORY' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 102 riferimenti
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    1. Cooper, DL
      Spin-coupled description of the chemical bonding to hypercoordinate chlorine

      THEORETICAL CHEMISTRY ACCOUNTS
    2. Goumri-Said, S; Aourag, H; de Fornel, F; Salomon, L
      Quantum Monte Carlo study of the alternating extended Peierls-Hubbard model applied to the trans-polyacetylene

      PHYSICA B
    3. Bodo, E; Gianturco, FA; Martinazzo, R; Raimondi, M
      Possible reaction paths in the LiH2+ chemistry: a computational analysis of the interaction forces

      CHEMICAL PHYSICS
    4. Song, LC; Wu, W; Cao, ZX; Zhang, QE
      Configuration interaction in valence bond theory

      CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
    5. Specchio, R; Famulari, A; Raimondi, M
      Ab initio study of helium dimer

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    6. Leao, MBC; Pavao, AC
      An electron transfer mechanism for the dimethylnitrosamine carcinogenic action

      JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
    7. Schindler, M; Hawthorne, FC
      A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. I. Theory

      CANADIAN MINERALOGIST
    8. Schindler, M; Hawthorne, FC
      A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. II. Crystal structure and chemical composition of borate minerals

      CANADIAN MINERALOGIST
    9. Frenking, G
      Perspective on "Quantentheoretische beitrage zum benzolproblem. I. Die elektronenkonfiguration des benzols und verwandter beziehungen" - Huckel E (1931) Z Phys 70 : 204-286

      THEORETICAL CHEMISTRY ACCOUNTS
    10. Galbraith, JM; Schreiner, PR; Harris, N; Wei, W; Wittkopp, A; Shaik, S
      A valence bond study of the Bergman cyclization: Geometric features, resonance energy, and nucleus-independent chemical shift (NICS) values

      CHEMISTRY-A EUROPEAN JOURNAL
    11. Mo, YR; Gao, JL
      Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: Application to an S(N)2 reaction in water

      JOURNAL OF COMPUTATIONAL CHEMISTRY
    12. Ghosh, H; Shukla, A; Mazumdar, S
      Electron-correlation-induced transverse delocalization and longitudinal confinement in excited states of phenyl-substituted polyacetylenes

      PHYSICAL REVIEW B
    13. Ramasesha, S; Pati, SK; Shuai, Z; Bredas, JL
      The density matrix renormalization group method: Application to the low-lying electronic states in conjugated polymers

      ADVANCES IN QUANTUM CHEMISTRY, VOL 38
    14. Penotti, FE
      On the electronic structure of Li-2 (X (1) Sigma(+)(g)) and its change with internuclear distance

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    15. Tkacz-Smiech, K; Kolezynski, A; Ptak, WS
      Chemical bond in ferroelectric perovskites

      FERROELECTRICS
    16. Nagao, H; Nishino, M; Shigeta, Y; Soda, T; Kitagawa, Y; Onishi, T; Yoshioka, Y; Yamaguchi, K
      Theoretical studies on effective spin interactions, spin alignments and macroscopic spin tunneling in polynuclear manganese and related complexes andtheir mesoscopic clusters

      COORDINATION CHEMISTRY REVIEWS
    17. Schindler, M; Hawthorne, FC; Baur, WH
      A crystal-chemical approach to the composition and occurrence of vanadium minerals

      CANADIAN MINERALOGIST
    18. Oliva, JM
      Transition states in modern valence-bond theory: application to the Cope rearrangement

      THEORETICAL CHEMISTRY ACCOUNTS
    19. Zilberg, S; Haas, Y
      The singlet-state photophysics and photochemistry of polyenes: Applicationof the twin-state model and of the phase-change theorem

      JOURNAL OF PHYSICAL CHEMISTRY A
    20. Brush, SG
      Dynamics of theory change in chemistry: Part 2. Benzene and molecular orbitals, 1945-1980

      STUDIES IN HISTORY AND PHILOSOPHY OF SCIENCE
    21. McWeeny, R
      An ab initio form of classical valence-bond theory

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    22. McNicholas, SJ; Manby, FR
      State-selective core-optimized spin-coupled theory

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    23. Wilson, S
      On the application of hierarchical orthogonality restrictions to spin-coupled wave functions

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    24. Sironi, M
      A new procedure to optimize core orbitals in the spin-coupled wave function

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    25. Ogliaro, F; Cooper, DL; Karadakov, PB
      Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    26. Thorsteinsson, T; Famulari, A; Raimondi, M
      A spin-coupled investigation of the electrophilic addition of hydrochloricacid to ethylene

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    27. Raos, G; Bielli, P; Tornaghi, E
      Rotational barriers of amides and polyisocyanates: A spin-coupled study

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    28. Caneschi, A; De Biani, FF; Kloo, L; Zanello, P
      Magnetic and redox properties in hydroxo- and alkoxo-bridged Fe(III) binuclear complexes: A density functional study

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    29. Oliva, JM
      Bonding in benzene methylene isomers: Modern VB study using spin-coupled theory

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    30. Zilberg, S; Haas, Y
      The electron-pair origin of antiaromaticity: Spectroscopic manifestations

      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    31. Harvey, PD; Reber, C
      Distortions in square-planar palladium(II) halides: a nonempirical molecular orbital model study

      CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    32. BACHLER V; METZLERNOLTE N
      THE PI-ELECTRON-ACCEPTING ABILITY OF THE BORON ATOM IN ETHYNYLBORANESAND RELATED-COMPOUNDS - AN APPROXIMATE WEIGHT COMPUTATION FOR RESONANCE STRUCTURES

      EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    33. CLARKE NJ; RAIMONDI M; SIRONI M; GERRATT J; COOPER DL
      OPTIMIZATION OF VIRTUAL ORBITALS IN THE FRAMEWORK OF A MULTICONFIGURATION SPIN-COUPLED WAVE-FUNCTION

      Theoretical chemistry accounts
    34. Karadakov, PB; Cooper, DL; Gerratt, J
      Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne

      THEORETICAL CHEMISTRY ACCOUNTS
    35. GAUTHRON I; MUGNIER Y; HIERSO K; HARVEY PD
      ELECTROREDUCTION OF PD-2(DPPM)(2)CL-2 AND PD(DPPM)CL-2 [DPPM = BIS(DIPHENYLPHOSPHINO)METHANE] IN APROTIC MEDIUM UNDER CARBON-DIOXIDE - ELECTROGENERATION OF PD-3(MU(3)-CO)(MU-DPPM)(3)

      New journal of chemistry
    36. LI J; NELSON MR; PENG CY; BASHFORD D; NOODLEMAN L
      INCORPORATING PROTEIN ENVIRONMENTS IN DENSITY-FUNCTIONAL THEORY - A SELF-CONSISTENT REACTION FIELD CALCULATION OF REDOX POTENTIALS OF [2FE2S] CLUSTERS IN FERREDOXIN AND PHTHALATE DIOXYGENASE REDUCTASE

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    37. Zilberg, S; Haas, Y
      Two-state model of antiaromaticity: The low lying singlet states

      JOURNAL OF PHYSICAL CHEMISTRY A
    38. CLARKE NJ; COOPER DL
      POTENTIAL-ENERGY CURVES AND PARTIAL-DERIVATIVE PARTIAL-DERIVATIVE-R COUPLINGS FOR ELECTRON-CAPTURE IN LOW-ENERGY COLLISIONS OF SILICON IONSWITH HELIUM AND ATOMIC-HYDROGEN/

      Journal of the Chemical Society. Faraday transactions (Print)
    39. CLARKE NJ; SIRONI M; RAIMONDI M; KUMAR S; GIANTURCO FA; BUONOMO E; COOPER DL
      CLASSICAL AND QUANTUM DYNAMICS ON THE COLLINEAR POTENTIAL-ENERGY SURFACE FOR THE REACTION OF LI WITH H-2

      Chemical physics
    40. KARWOWSKI J
      SYMMETRICAL-GROUP-BASED METHODS IN QUANTUM-CHEMISTRY

      Journal of mathematical chemistry
    41. CHEN EH; CHANG TC
      ORBITAL INTERACTION AND THE PHOTOELECTRON-SPECTROSCOPY OF N-2, CO, HCN AND C2H2

      Journal of molecular structure. Theochem
    42. ILLAS F; MARTIN RL
      MAGNETIC COUPLING IN IONIC SOLIDS STUDIED BY DENSITY-FUNCTIONAL THEORY

      The Journal of chemical physics
    43. THORSTEINSSON T; COOPER DL
      MODERN VALENCE-BOND DESCRIPTIONS OF MOLECULAR EXCITED-STATES - AN APPLICATION OF CASVB

      International journal of quantum chemistry
    44. WU W; WU A; MO YR; LIN MH; ZHANG QN
      EFFICIENT ALGORITHM FOR THE SPIN-FREE VALENCE-BOND THEORY - I - NEW STRATEGY AND PRIMARY EXPRESSIONS

      International journal of quantum chemistry
    45. MCGRADY JE; STRANGER R; LOVELL T
      ELECTRONIC-STRUCTURE OF FACE-SHARED AND EDGE-SHARED BIOCTAHEDRAL SYSTEMS - A COMPARISON OF M2CL93- AND M2CL104-, M = CR, MO, W

      Inorganic chemistry
    46. RAOS G; MCNICHOLAS SJ; GERRATT J; COOPER DL; KARADAKOV PB
      ANTIFERROMAGNETIC SPIN COUPLINGS IN CYCLOBUTADIENE CHAINS

      JOURNAL OF PHYSICAL CHEMISTRY B
    47. SALIKHOV A; FISCHER H
      A MODEL VBCI CALCULATION ON THE STATE CORRELATION DIAGRAM FOR RADICALABSTRACTION AND ADDITION-REACTIONS

      Theoretical chemistry accounts
    48. MODL M; POVILL A; RUBIO J; ILLAS F
      AB-INITIO STUDY OF THE MAGNETIC COUPLING IN NA6FE2S6

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    49. CABALLOL R; CASTELL O; ILLAS F; MOREIRA PR; MALRIEU JP
      REMARKS ON THE PROPER USE OF THE BROKEN SYMMETRY APPROACH TO MAGNETICCOUPLING

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    50. FORNI A; SIRONI M; RAIMONDI M; COOPER DL; GERRATT J
      THEORETICAL INVESTIGATION OF THIOPHENE OLIGOMERS - A SPIN-COUPLED STUDY

      The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    51. FLOCKE N; KARWOWSKI J
      SYMMETRICAL-GROUP APPROACH TO THE STUDIES OF SPIN-1 2 LATTICES/

      Physical review. B, Condensed matter
    52. OLIVA JM; GERRATT J; KARADAKOV PB; COOPER DL
      CONROTATORY AND DISROTATORY PATHWAYS IN THE ELECTROCYCLIC ISOMERIZATION OF CYCLOBUTENE TO CIS-BUTADIENE - THE SPIN-COUPLED VIEWPOINT

      The Journal of chemical physics
    53. CORY MG; STAVREV KK; ZERNER MC
      AN EXAMINATION OF THE ELECTRONIC-STRUCTURE AND SPECTROSCOPY OF HIGH-SPIN AND LOW-SPIN MODEL FERREDOXIN VIA SEVERAL SCF AND CI TECHNIQUES

      International journal of quantum chemistry
    54. HARVEY PD; DROUIN M; ZHANG TL
      CRYSTALLOGRAPHIC, THEORETICAL, AND SPECTROSCOPIC STUDIES OF THE LUMINESCENT D(10)-D(10) BINUCLEAR COPPER-ACETATE COMPLEX CU-2(DPPM)(2)(O2CCH3)(+)

      Inorganic chemistry
    55. HAWTHORNE FC
      SHORT-RANGE ORDER IN AMPHIBOLES - A BOND-VALENCE APPROACH

      Canadian Mineralogist
    56. GAUTHRON I; MUGNIER Y; HIERSO K; HARVEY PD
      ELECTROCHEMICAL REDUCTION OF THE UNSATURATED CYCLIC TRINUCLEAR PD-3(DPPM)(3)CO2+ CLUSTER (DPPM = ((C6H5)(2)P)(2)CH2)

      Canadian journal of chemistry
    57. KURAMOCHI H; NOODLEMAN L; CASE DA
      DENSITY-FUNCTIONAL STUDY ON THE ELECTRONIC-STRUCTURES OF MODEL PEROXIDASE COMPOUND-I AND COMPOUND-II

      Journal of the American Chemical Society
    58. LEPAPE L; LAMOTTE B; MOUESCA JM; RIUS G
      PARAMAGNETIC STATES OF 4-IRON 4-SULFUR CLUSTERS .1. EPR SINGLE-CRYSTAL STUDY OF 3-CLUSTER AND 1+-CLUSTER OF AN ASYMMETRICAL MODEL-COMPOUND AND GENERAL-MODEL FOR THE INTERPRETATION OF THE G-TENSORS OF THESE 2 REDOX STATES()

      Journal of the American Chemical Society
    59. FORTIN D; DROUIN M; TURCOTTE M; HARVEY PD
      QUASI-UNIDIMENSIONAL ([M(DMB)(2)]Y)(N) ORGANOMETALLIC POLYMERS (M=CU(I),AG(I) DMB EQUALS 1,8-DIISOCYANO-P-MENTHANE, Y=BF4-, PF6-, NO3-, CLO4-, CH3CO2-) - STRUCTURAL, CALORIMETRIC, AND LUMINESCENCE PROPERTIES

      Journal of the American Chemical Society
    60. WU W; WU AA; MO YR; ZHANG QN
      PAIRED-PERMANENT APPROACH TO VALENCE-BOND THEORY

      Science in China. Series B, Chemistry, life sciences & earth sciences
    61. MCWEENY R
      IONIZATION AND ATTACHMENT IN VALENCE-BOND THEORY

      Chemical physics
    62. MO YR; WU W; ZHANG QE
      RECENT PROGRESS IN VALENCE-BOND THEORY

      Gaodeng xuexiao huaxue xuebao
    63. MO YR; LIN ZY; WU W; ZHANG QN
      DELOCALIZATION IN ALLYL CATION, RADICAL, AND ANION

      Journal of physical chemistry
    64. BUKOWSKI R; JEZIORSKI B; SZALEWICZ K
      BASIS-SET SUPERPOSITION PROBLEM IN INTERACTION ENERGY CALCULATIONS WITH EXPLICITLY CORRELATED BASES - SATURATED 2ND-ORDER AND 3RD-ORDER ENERGIES FOR HE-2

      The Journal of chemical physics
    65. RAIMONDI M; SIRONI M; GERRATT J; COOPER DL
      OPTIMIZED SPIN-COUPLED VIRTUAL ORBITALS

      International journal of quantum chemistry
    66. HARVEY PD; HIERSO K; BRAUNSTEIN P; MORISE X
      COMPARISON IN HALIDE BINDING ABILITY BETWEEN THE UNSATURATED CLUSTERS-3(MU-DPPM)(3)(CO)](2-DPPM)(2)(CO)(3)(CN(T)BU)](+) (DPPM=PH(2)PCH(2)PPH(2))() AND [PDPTCO(MU)

      Inorganica Chimica Acta
    67. PROVENCHER R; HARVEY PD
      THEORETICAL-STUDY AND LUMINESCENCE PROPERTIES OF THE CYCLIC CU-3(DPPM)(3)OH2- THE FIRST LUMINESCENT CLUSTER HOST AT ROOM-TEMPERATURE( CLUSTER )

      Inorganic chemistry
    68. CASTELL O; CABALLOL R; GARCIA VM; HANDRICK K
      AB-INITIO CI DETERMINATION OF THE EXCHANGE COUPLING-CONSTANT OF DOUBLY-BRIDGED NICKEL(II) DIMERS

      Inorganic chemistry
    69. LOVELL T; MCGRADY JE; STRANGER R; MACGREGOR SA
      OPTIMIZED STRUCTURES OF BIMETALLIC SYSTEMS - A COMPARISON OF FULL-SYMMETRY AND BROKEN-SYMMETRY DENSITY-FUNCTIONAL CALCULATIONS

      Inorganic chemistry
    70. HARVEY PD; PROVENCHER R; GAGNON J; ZHANG TL; FORTIN D; HIERSO K; DROUIN M; SOCOL SM
      PHOTOINDUCED OXIDATIVE-DEGRADATION OF UNSATURATED M(3)(DPPM)(3)CO2-ION( CLUSTERS (M=PD, PT) BY CHLOROCARBONS AND CHLORIDE)

      Canadian journal of chemistry
    71. MO YR; ZHANG QN
      MODEL TO STUDY DELOCALIZATION

      Journal of the Chemical Society. Faraday transactions
    72. WU W; MO YR; ZHANG QE
      A NEW ALGORITHM FOR THE PERMANENT APPROAC H TO VALENCE-BOND THEORY

      Gaodeng xuexiao huaxue xuebao
    73. AMOVILLI C; BLAZEJ M; MARCH NH
      QUANTUM-CHEMICAL MODELING OF CO PHYSISORBED AND CHEMISORBED ON A BERYLLIUM METAL-SURFACE

      Journal of molecular structure. Theochem
    74. FLORIANO WB; BLASZKOWSKI SR; NASCIMENTO MAC
      A GENERALIZED MULTISTRUCTURAL DESCRIPTION OF THE GROUND-STATE OF OZONE AND WATER-MOLECULES

      Journal of molecular structure. Theochem
    75. KARADAKOV PB; GERRATT J; COOPER DL; RAIMONDI M
      SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS

      Theoretica Chimica Acta
    76. CASTELL O; CABALLOL R; SUBRA R; GRAND A
      AB-INITIO STUDY OF ULLMANS NITROXIDE BIRADICALS, EXCHANGE COUPLING VERSUS STRUCTURAL CHARACTERISTICS ANALYSIS

      Journal of physical chemistry
    77. MO YR; ZHANG QE
      WHY N2O2 IS CIS WHILE (CHO)(2) IS TRANS - MO AND VB STUDIES

      International journal of quantum chemistry
    78. KADOLKAR C; SARMA CR; RETTRUP S
      CONFIGURATION-INTERACTION STUDIES USING BIORTHOGONAL APPROACH TO VB BASIS

      International journal of quantum chemistry
    79. MOUESCA JM; NOODLEMAN L; CASE DA; LAMOTTE B
      SPIN-DENSITIES AND SPIN COUPLING IN IRON-SULFUR CLUSTERS - A NEW ANALYSIS OF HYPERFINE COUPLING-CONSTANTS

      Inorganic chemistry
    80. NOODLEMAN L; PENG CY; CASE DA; MOUESCA JM
      ORBITAL INTERACTIONS, ELECTRON DELOCALIZATION AND SPIN COUPLING IN IRON-SULFUR CLUSTERS

      Coordination chemistry reviews
    81. KOMASA J; RYCHLEWSKI J; RAYNES WT
      THE NUCLEAR MAGNETIC SHIELDING AND SPIN-ROTATION CONSTANTS OF THE HYDROGEN MOLECULE

      Chemical physics letters
    82. KARADAKOV PB; GERRATT J; COOPER DL; RAIMONDI M
      SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES

      Journal of the Chemical Society. Faraday transactions
    83. AHSAN MAH; KADOLKAR CY; SARMA CR
      A CONFIGURATION-SPACE TRUNCATION SCHEME FOR THE HEISENBERG SPIN-1 MODEL

      Journal of physics. Condensed matter
    84. CASTELL O; MIRALLES J; CABALLOL R
      STRUCTURAL DEPENDENCE OF THE SINGLET-TRIPLET GAP IN DOUBLY BRIDGED COPPER DIMERS - A VARIATIONAL CI CALCULATION

      Chemical physics
    85. AHSAN MAH; SARMA CR
      CONFIGURATION-SPACE TRUNCATION SCHEME FOR HUBBARD HAMILTONIAN

      Proceedings of the Indian Academy of Sciences. Chemical sciences
    86. ROSSI G
      ELECTRON-LATTICE AND ELECTRON-ELECTRON COUPLING IN CONJUGATED POLYMERS - MINIMUM TOTAL-ENERGY CALCULATIONS ON THE HUBBARD-PEIERLS HAMILTONIAN

      Physical review. B, Condensed matter
    87. ZHOU TJ; LIU AM
      OPTIMAL GROUP SYMMETRICAL LOCALIZED MOLECULAR-ORBITALS

      Theoretica Chimica Acta
    88. SCHMIDTKE HH; ROSELLEN U; DIEHL M
      MAGNETIC AND SPECTROSCOPIC HIGH SPIN-LOW SPIN PROPERTIES OF FE(III) SULFIDE COMPLEXES WITH EXTENDED STRUCTURES

      Molecular physics
    89. MO YR; WU W; ZHANG QN
      THEORETICAL RESONANCE ENERGIES OF BENZENE, CYCLOBUTADIENE, AND BUTADIENE

      Journal of physical chemistry
    90. HANDRICK K; MALRIEU JP; CASTELL O
      GENERAL STRATEGY FOR THE AB-INITIO CALCULATION OF EXCHANGE COUPLING IN POLYNUCLEAR COMPLEXES

      The Journal of chemical physics
    91. HYAMS PA; GERRATT J; COOPER DL; RAIMONDI M
      THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .1. BASIC THEORY

      The Journal of chemical physics
    92. HARVEY PD; HUBIG SM; ZIEGLER T
      SPECTROSCOPIC AND PHOTOPHYSICAL INVESTIGATIONS OF THE UNSATURATED CYCLIC TRINUCLEAR CLUSTERS M3(DPPM)3CO2- EVIDENCE FOR EXCITED-STATE GUEST-HOST CHEMISTRY( (M=PD, PT) )

      Inorganic chemistry
    93. RYCHLEWSKI J; CENCEK W; KOMASA J
      THE EQUIVALENCE OF EXPLICITLY CORRELATED SLATER AND GAUSSIAN FUNCTIONS IN VARIATIONAL QUANTUM-CHEMISTRY COMPUTATIONS - THE GROUND-STATE OF H-2

      Chemical physics letters
    94. MOUESCA JM; CHEN JL; NOODLEMAN L; BASHFORD D; CASE DA
      DENSITY-FUNCTIONAL POISSON-BOLTZMANN CALCULATIONS OF REDOX POTENTIALSFOR IRON-SULFUR CLUSTERS

      Journal of the American Chemical Society
    95. XIE YQ; ZHANG XD; ZHAO LY; MA XL
      ELECTRONIC-STRUCTURE AND PROPERTIES OF CU METAL

      Science in China. Series A, Mathematics, Physics, Astronomy & Technological Sciences
    96. KLEIN DJ; ZIVKOVIC TP
      SUBGRAPH GENERATING-FUNCTIONS IN CHEMISTRY - AN EXAMPLE FOR PERFECT MATCHINGS ON HONEYCOMB FRAGMENTS

      Mathematical and computer modelling
    97. MATHUR D
      MULTIPLY CHARGED MOLECULES

      Physics reports
    98. BELINSKII M
      SPIN COUPLING MODEL FOR TETRAMERIC IRON CLUSTERS IN FERREDOXINS .2. HYPERFINE INTERACTIONS, MAGNETISM, HIGH-SPIN SYSTEMS

      Chemical physics
    99. MCDOUALL JJW
      DYNAMIC CORRELATION FOR BIORTHOGONAL VALENCE-BOND REFERENCE STATES

      Theoretica Chimica Acta
    100. COOPER DL; GERRATT J; RAIMONDI M; SIRONI M; THORSTEINSSON T
      EXPANSION OF THE SPIN-COUPLED WAVE-FUNCTION IN SLATER DETERMINANTS

      Theoretica Chimica Acta


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Documento generato il 22/01/21 alle ore 05:42:15