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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:
A Classical and Quantum Trajectory Description of Nonadiabatic Dynamics within Time-Dependent Density Functional Theory
Entropic stabilization of mixed A-cation ABX3 metal halide perovskites for high performance perovskite solar cells
Integrating computational methods to retrofit enzymes to synthetic pathways
Local control theory in trajectory-based nonadiabatic dynamics
On the structural stability of the free and metal-loaded c-terminal domain of the prion protein
Photodynamics of Lys+-Trp Protein Motifs: Hydrogen Bonds Ensure Photostability
Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems
Solvent Induced Luminescence Quenching: Static and Time-Resolved X-Ray Absorption Spectroscopy of a Copper(I) Phenanthroline Complex
The Molecular Mechanism of the Catalase-like Activity in Horseradish Peroxidase
Valence and conduction band tuning in halide perovskites for solar cell applications

See complete list of publications (351)

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


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