structure and bonding - gbv · applications of evolutionary computation in chemistry volume editor:...
Post on 08-Oct-2020
2 Views
Preview:
TRANSCRIPT
Structure and Bonding
Principles and Application sof Density Functional Theor yin Inorganic Chemistry I I
N. Kaitsoyannis • J.E. McGrady
Agostic Interactions from a Computational Perspective:One Name, many InterpretationsE.Clot •O.Eisenstein 1
Computational Bioinorganic Chemistr yR.J. Deeth 3 7
Theoretical Study of the Exchange Couplin gin Large Polynuclear Transition Metal Complexes Using DFT Method sE. Ruiz 7 1
Computing the Properties of Materials from First Principle swith SIESTAD. Sanchez-Portal • P. Ordejön • E. Canadell 10 3
The Performance of Hybrid Density Functional sin Solid State ChemistryF. Cora • M. Alfredsson • G. Mallia • D.S . Middlemiss . W.C. MackrodtR. Dovesi• R. Orlando 17 1
Author Index 101-113 23 3
Subject Index 239
top related