Tag Computational Chemistry

33 documents
0910.5861v1

0910.5861v1

a r X i v : 0 9 1 0 . 5 8 6 1 v 1 [ c o n d - m a t . m t r l - s c i ] 3 0 O c t 2 0 0 9 Density-Functional Tight-Binding for Beginners Pekka Koskinen ∗1 and…
Computational Chemistry

Computational Chemistry

introduction to the computational methods such as Ab-initio and HF
Advanced Chemistryprize2013

Advanced Chemistryprize2013

9 OCTOBE R 2013 Scientific Background on the Nobel Prize in Chemistry 2013 D E V E L O P M E N T O F M U LT I S C A L E M O D E L S F O R COMPLEX CHEMICAL SYSTEMS…
correlationconsistentcomposite.pdf

correlationconsistentcomposite.pdf

An alternative to the Gaussian-n G1, G2, and G3 composite methods of computing molecular energies is proposed and is named the “correlation consistent…
Applications of Molecular and Materials Modeling

Applications of Molecular and Materials Modeling

Molecular and Materials modeling is gaining broad interest in developing new materials.
Dolg_Lanthanides and Actinides

Dolg_Lanthanides and Actinides

CLA01- Lanthanides and Actinides Michael Dolg Max-Planck-Institut f¨ ur Physik komplexer Systeme, Dresden, Germany 2 GENERAL 2.1 Superconfiguration Model In the…
We Need Your Support
Thank you for visiting our website and your interest in our free products and services. We are nonprofit website to share and download documents. To the running of this website, we need your help to support us.

Thanks to everyone for your continued support.

No, Thanks