Christel M. Marian

According to our database1, Christel M. Marian authored at least 7 papers between 1998 and 2010.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2010
QM/MM calculation of solvent effects on absorption spectra of guanine.
Journal of Computational Chemistry, 2010

2008
AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes.
Journal of Chemical Information and Modeling, 2008

2007
Quantum chemical investigation of hydrogen-bond strengths and partition into donor and acceptor contributions.
Journal of Computational Chemistry, 2007

2006
Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies.
Journal of Chemical Information and Modeling, 2006

2005
Molecular design of two sterol 14α-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole.
Journal of Computer-Aided Molecular Design, 2005

2002
Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene.
Journal of Computational Chemistry, 2002

1998
Ab initio prediction of 15N-NMR chemical shift in -boron nitride based on an analysis of connectivities.
Journal of Computational Chemistry, 1998


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