Claude Giessner-Prettre - researchr alias

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Viewing Publication 1 - 6 from 6

2005

A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contributionJean-Philip Piquemal, Antonio Marquez, Olivier Parisel, Claude Giessner-Prettre. jcc, 26(10):1052-1062, 2005. [doi]

2004

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LFJean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre. jcc, 25(2):308, 2004. [doi]

2003

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LFJean-Philip Piquemal, Benjamin Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre. jcc, 24(16):1963-1970, 2003. [doi]

2000

Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligandsGilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield. jcc, 21(12):1011-1039, 2000. [doi]

1989

++ interacting with models of ligands present at the thermolysin active siteClaude Giessner-Prettre, Olivier Jacob. jcamd, 3(1):23-37, 1989. [doi]

1977

Theoretical study on the proton chemical shifts of hydrogen bonded nucleic acid basesClaude Giessner-Prettre, B. Pullman, J. Caillet. nar, 4(1):99-116, 1977.

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