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Results: 1-11 |
Results: 11
MODELS OF WATER-ASSISTED HYDROLYZES OF METHYL FORMATE, FORMAMIDE, ANDUREA FROM COMBINED DFT-SCRF CALCULATIONS
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, MODELS OF WATER-ASSISTED HYDROLYZES OF METHYL FORMATE, FORMAMIDE, ANDUREA FROM COMBINED DFT-SCRF CALCULATIONS, JOURNAL OF MOLECULAR MODELING, 4(6), 1998, pp. 183-196
STRUCTURAL-PROPERTIES OF PROTONATED ACYL DERIVATIVES AS STUDIED BY QUANTUM-MECHANICS
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, STRUCTURAL-PROPERTIES OF PROTONATED ACYL DERIVATIVES AS STUDIED BY QUANTUM-MECHANICS, Journal of molecular structure. Theochem, 428, 1998, pp. 267-282
PK(A) VALUES OF AMINES IN WATER FROM QUANTUM-MECHANICAL CALCULATIONS USING A POLARIZED DIELECTRIC CONTINUUM REPRESENTATION OF THE SOLVENT
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, PK(A) VALUES OF AMINES IN WATER FROM QUANTUM-MECHANICAL CALCULATIONS USING A POLARIZED DIELECTRIC CONTINUUM REPRESENTATION OF THE SOLVENT, JOURNAL OF PHYSICAL CHEMISTRY B, 101(15), 1997, pp. 2959-2967
PRODUCTION OF CRYSTAL SUSPENSIONS FOR GRANULATION PROCESSES
Authors: KALLIES B ULRICH J KONIG A
Citation: B. Kallies et al., PRODUCTION OF CRYSTAL SUSPENSIONS FOR GRANULATION PROCESSES, Chemical engineering research & design, 75(A2), 1997, pp. 142-146
COMPETITIVE RESONANCE AT THE CARBONYL GROUP AS VISUALIZED BY THE NATURAL BOND ORBITAL ANALYSIS
Authors: KALLIES B KLEINPETER E KOCH A MITZNER R
Citation: B. Kallies et al., COMPETITIVE RESONANCE AT THE CARBONYL GROUP AS VISUALIZED BY THE NATURAL BOND ORBITAL ANALYSIS, Journal of molecular structure, 435(2), 1997, pp. 123-132
SUBSTRATE-SPECIFICITY OF CHYMOTRYPSIN - STUDY OF INDUCED STRAIN BY MOLECULAR MECHANICS
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, SUBSTRATE-SPECIFICITY OF CHYMOTRYPSIN - STUDY OF INDUCED STRAIN BY MOLECULAR MECHANICS, JOURNAL OF MOLECULAR MODELING, 2(6), 1996, pp. 149-159
STUDY OF ELECTRON-DENSITIES OF METHYL ACETATE, N-METHYLACETAMIDE AND N,N'-DIMETHYLUREA BY QUANTUM-MECHANICAL INVESTIGATIONS .1. GAS-PHASE
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, STUDY OF ELECTRON-DENSITIES OF METHYL ACETATE, N-METHYLACETAMIDE AND N,N'-DIMETHYLUREA BY QUANTUM-MECHANICAL INVESTIGATIONS .1. GAS-PHASE, Perkin transactions. 2, (7), 1996, pp. 1397-1401
STUDY OF ELECTRON-DENSITIES OF METHYL ACETATE, N-METHYLACETAMIDE AND N,N'-DIMETHYLUREA BY QUANTUM-MECHANICAL INVESTIGATIONS .2. SOLVENT MODELS
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, STUDY OF ELECTRON-DENSITIES OF METHYL ACETATE, N-METHYLACETAMIDE AND N,N'-DIMETHYLUREA BY QUANTUM-MECHANICAL INVESTIGATIONS .2. SOLVENT MODELS, Perkin transactions. 2, (7), 1996, pp. 1403-1408
THE ABILITY OF THE SEMIEMPIRICAL PM3 METHOD TO MODEL PROTON-TRANSFER REACTIONS IN SYMMETRICAL HYDROGEN-BONDED SYSTEMS
Authors: KALLIES B MITZNER R
Citation: B. Kallies et R. Mitzner, THE ABILITY OF THE SEMIEMPIRICAL PM3 METHOD TO MODEL PROTON-TRANSFER REACTIONS IN SYMMETRICAL HYDROGEN-BONDED SYSTEMS, JOURNAL OF MOLECULAR MODELING, 1(2), 1995, pp. 68-78
REACTIONS AND THERMAL-BEHAVIOR OF NONOXO VANADIUM(IV) COMPLEXES - CRYSTAL-STRUCTURES OF RIFLUOROACETONE-SALICYLHYDRAZONATO(2-)]VANADIUM(V) AND [BENZOYLACETONE-SALICYLHYDRAZONATO(2-)]VANADIUM(V)
Authors: LUDWIG E HEFELE H FRIEDRICH A KALLIES B SCHILDE U UHLEMANN E HAHN E
Citation: E. Ludwig et al., REACTIONS AND THERMAL-BEHAVIOR OF NONOXO VANADIUM(IV) COMPLEXES - CRYSTAL-STRUCTURES OF RIFLUOROACETONE-SALICYLHYDRAZONATO(2-)]VANADIUM(V) AND [BENZOYLACETONE-SALICYLHYDRAZONATO(2-)]VANADIUM(V), Zeitschrift fur anorganische und allgemeine Chemie, 621(3), 1995, pp. 488-494
READY-MADE DUSTFREE PARTICLES BY SOLIDIFI CATION OF LIQUID MELTS
Authors: ULRICH J KALLIES B
Citation: J. Ulrich et B. Kallies, READY-MADE DUSTFREE PARTICLES BY SOLIDIFI CATION OF LIQUID MELTS, Chemische Technik, 46(4), 1994, pp. 229-234
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