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LCBC

Formal Name (French)
Laboratoire de chimie et biochimie computationnelles
Formal Name (Engish)
Laboratory of Computational Chemistry and Biochemistry
Lab Manager
Kiliç, Murat
Group ID
U2
Author(s):
See affiliated authors
Institute:
ISIC
Faculty:
SB
General Note:
Members of LCBC-unit
Linked Resource:
http://isic2.epfl.ch/page59069-en.html
Publications:
15 years of Car-Parrinello simulations in physics, chemistry and biology
A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations
Accelerating rare events in ab initio molecular dynamics simulations
Chiral Palladium(II)-Bis(trichlorosilyl) Complexes. Synthesis, Structure, and Combined QM/MM Computational Studies
Conformational Equilibria of Peroxynitrous Acid in Water: A First-Principles Molecular Dynamics Study
Ditantalum Hydride Complexes with Bridging (2,6-iPr2C6H3)NSiHPh Silanimine Ligands Resulting from PhSiH3-Imido Ligand Coupling. A Combined Spectr[...]
Efficient multidimensional free energy calculations for ab initio molecular dynamics using classical bias potentials
Isolation of a highly persistent diphosphanyl radical: the phosphorus analogue of a hydrazyl
Simulations of enzymatic systems: Perspectives from Car-Parrinello molecular dynamics simulations
The Role of p-p Stacking Interactions in Square Planar Palladium Complexes. Combined Quantum Mechanics/Molecular Mechanics QM/MM Studies

See complete list of publications (337)

 Record created 2018-01-27, last modified 2018-03-19


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