×
Log in
Upload File
Most Popular
Study
Business
Design
Technology
Travel
Explore all categories
The top documents of marcel-swart
Presentation of ECOSTBio Action CM1305 at APC Keflavik (Iceland)
114 views
I'm a Chemist..... (TEDxUdG presentation 2012)
85 views
A charge analysis derived from an atomic multipole expansion
223 views
Proton affinities of maingroup-element hydrides and noble gases: Trends across the periodic table, structural effects, and DFT validation
213 views
Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods
214 views
QUILD: QUantum-regions interconnected by local descriptions
214 views
Inter- and intramolecular dispersion interactions
213 views
Metal–ligand bonding in metallocenes: Differentiation between spin state, electrostatic and covalent bonding
234 views
Substrate binding in the active site of cytochrome P450cam
214 views
AddRemove: A new link model for use in QM/MM studies
212 views
Atomic radii in molecules for use in a polarizable force field
212 views
Mean polarizabilities of organic molecules. A comparison of Restricted Hartree Fock, Density Functional Theory and Direct Reaction Field results
215 views
Density Functional Study on UV/VIS Spectra of Copper-Protein Active Sites: The Effect of Mutations
214 views