共 46 条
- [41] ANALYTICAL SOLUTION OF MOLECULAR 3-CENTER ONE-ELECTRON INTEGRALS OVER SLATER-TYPE ATOMIC ORBITALS AND REGULAR SOLID SPHERICAL HARMONICSTHEORETICA CHIMICA ACTA, 1974, 34 (04): : 251 - 262STEINBORN, EO
- [42] USE OF EXTENDED HUCKEL MOLECULAR-ORBITAL CALCULATIONS IN DETERMINING THE POSITION OF ATTACK IN INNER-SPHERE ELECTRON-TRANSFER REACTIONS - X-RAY CRYSTAL-STRUCTURE OF (1,3-DIPHENYLPROPANE-1,3-DIONATO)BIS(ETHYLENEDIAMINE)COBALT-(III)INORGANIC CHEMISTRY, 1988, 27 (09) : 1662 - 1666LEWIS, NAFRIESEN, CWHITE, PSBALAHURA, RJ
- [43] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .7. CONVERGENCE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS IN CALCULATIONS OF FIRST-ORDER AND SECOND-ORDER PROPERTIESJOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02): : 613 - +DITCHFIELD, RMILLER, DPPOPLE, JA
- [44] ELECTRON-PARAMAGNETIC RESONANCE EVIDENCE FOR SOME RADIATION-INDUCED, NEW CLUSTERS OF THE (M6X8)N+ TYPE AND A MOLECULAR-ORBITAL SCHEMEJOURNAL OF CHEMICAL RESEARCH-S, 1978, (02): : 66 - 67GIBSON, JFMEIER, POW
- [45] DFT Calculations Suggest a New Type of Self-Protection and Self-Inhibition Mechanism in the Mammalian Heme Enzyme Myeloperoxidase: Nucleophilic Addition of a Functional Water rather than One-Electron ReductionCHEMISTRY-A EUROPEAN JOURNAL, 2012, 18 (35) : 10937 - 10948Sicking, WilhelmSomnitz, HolgerSchmuck, Carsten
- [46] SINGLE-CRYSTAL ELECTRON-PARAMAGNETIC RESONANCE AND NONPARAMETERIZED FENSKE-HALL MOLECULAR-ORBITAL CALCULATIONS SUBSTANTIATING DEMISE OF BALLHAUSEN-DAHL BONDING MODEL FOR D1 AND D2 M(IV) M(H5-C5H5)2L2 COMPLEXESJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (07) : 2248 - 2250PETERSEN, JLDAHL, LF