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Results:
1-11
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Results: 11
Authors:
KLAMT A
JONAS V
BURGER T
LOHRENZ JCW
Citation: A. Klamt et al., REFINEMENT AND PARAMETRIZATION OF COSMO-RS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(26), 1998, pp. 5074-5085
Authors:
FRANK I
PARRINELLO M
KLAMT A
Citation: I. Frank et al., INSIGHT INTO CHEMICAL-REACTIONS FROM FIRST-PRINCIPLES SIMULATIONS - THE MECHANISM OF THE GAS-PHASE REACTION OF OH RADICALS WITH KETONES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(20), 1998, pp. 3614-3617
Authors:
BALDRIDGE K
KLAMT A
Citation: K. Baldridge et A. Klamt, FIRST PRINCIPLES IMPLEMENTATION OF SOLVENT EFFECTS WITHOUT OUTLYING CHARGE ERROR, The Journal of chemical physics, 106(16), 1997, pp. 6622-6633
Authors:
KLAMT A
Citation: A. Klamt, ESTIMATION OF GAS-PHASE HYDROXYL RADICAL RATE CONSTANTS OF OXYGENATEDCOMPOUNDS BASED ON MOLECULAR-ORBITAL CALCULATIONS, Chemosphere, 32(4), 1996, pp. 717-726
Authors:
KLAMT A
Citation: A. Klamt, CALCULATION OF UV VIS SPECTRA IN SOLUTION, Journal of physical chemistry, 100(9), 1996, pp. 3349-3353
Authors:
KLAMT A
JONAS V
Citation: A. Klamt et V. Jonas, TREATMENT OF THE OUTLYING CHARGE IN CONTINUUM SOLVATION MODELS, The Journal of chemical physics, 105(22), 1996, pp. 9972-9981
Authors:
KLAMT A
Citation: A. Klamt, CONDUCTOR-LIKE SCREENING MODEL FOR REAL SOLVENTS - A NEW APPROACH TO THE QUANTITATIVE CALCULATION OF SOLVATION PHENOMENA, Journal of physical chemistry, 99(7), 1995, pp. 2224-2235
Authors:
ANDZELM J
KOLMEL C
KLAMT A
Citation: J. Andzelm et al., INCORPORATION OF SOLVENT EFFECTS INTO DENSITY-FUNCTIONAL CALCULATIONSOF MOLECULAR-ENERGIES AND GEOMETRIES, The Journal of chemical physics, 103(21), 1995, pp. 9312-9320
Authors:
MAASSEN S
ARLT W
KLAMT A
Citation: S. Maassen et al., PREDICTION OF GAS SOLUBILITIES AND PARTIT ION-COEFFICIENTS ON THE BASIS OF MOLECULAR-ORBITAL CALCULATIONS (COSMO) WITH REGARD TO THE INFLUENCE OF SOLVENT, Chemieingenieurtechnik, 67(4), 1995, pp. 476-479
Authors:
KLAMT A
SCHUURMANN G
Citation: A. Klamt et G. Schuurmann, COSMO - A NEW APPROACH TO DIELECTRIC SCREENING IN SOLVENTS WITH EXPLICIT EXPRESSIONS FOR THE SCREENING ENERGY AND ITS GRADIENT, Perkin transactions. 2, (5), 1993, pp. 799-805
Authors:
KLAMT A
Citation: A. Klamt, ESTIMATION OF GAS-PHASE HYDROXYL RADICAL RATE CONSTANTS OF ORGANIC-COMPOUNDS FROM MOLECULAR-ORBITAL CALCULATIONS, Chemosphere, 26(7), 1993, pp. 1273-1289
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