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Disambiguation of "Eckert, Frank"

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Local interpolation of ab initio potential energy surfaces for direct dynamics studies of chemical reactions

, and . Chem. Phys. Lett., 302 (3-4): 208–214 (1999)
DOI: 10.1016/S0009-2614(99)00132-3

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Jörg Eckert University of Stuttgart

Juhan Frank

Dr. rer. nat. Bettina Frank University of Stuttgart

Lukas Frank University of Stuttgart

Daniel Frank University of Stuttgart

 

Other publications of authors with the same name

COSMO-RS: A novel view to physiological solvation and partition questions., , and . Journal of Computer-Aided Molecular Design, 15 (4): 355-365 (2001)Impact of local approximations on MP2 vibrational frequencies, , , , and . Spectrochim. Acta Part A Mol. Biomol. Spectrosc., 55 (3): 647–658 (1999)Ab initio geometry optimization for large molecules, , and . J. Comput. Chem., 18 (12): 1473–1483 (September 1997)Reaction path following by quadratic steepest descent, and . Theor. Chem. Acc., 100 (1-4): 21–30 (1998)A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt., , , , and . Journal of Chemical Information and Computer Sciences, 42 (6): 1320-1331 (2002)Prediction of aqueous solubility of drugs and pesticides with COSMO-RS., , , , and . Journal of Computational Chemistry, 23 (2): 275-281 (2002)A computational study on the reaction mechanism of the Boulton-Katritzky rearrangement, and . J. Am. Chem. Soc., 120 (51): 13478–13484 (1998)A theoretical and experimental study of the molecular rearrangement of 5-methyl-4-nitrobenzofuroxan, , , and . J. Am. Chem. Soc., 121 (28): 6700–6711 (July 1999)A computational study on the mechanism and kinetics of the pyrolysis of 2-nitrophenyl azide, and . J. Phys. Chem. A, 103 (45): 9086–9092 (November 1999)Local interpolation of ab initio potential energy surfaces for direct dynamics studies of chemical reactions, and . Chem. Phys. Lett., 302 (3-4): 208–214 (1999)