Lindqvist - a blog about Linux and Science. Mostly.
Pages
(Move to ...)
Home
Computational Chemistry Software
Chemistry
Wine
Kernel
Misc. Linux
OS X/Windows
whoami
▼
Showing posts with label
eda
.
Show all posts
Showing posts with label
eda
.
Show all posts
20 August 2018
653. Energy decomposition analysis the manual/multiwfn way -- nwchem
›
I have a very large system (390 atoms, 3918 functions, 6474 primitives) where I want to analyse the bonding. Whereas I can reduce the size o...
15 June 2018
649. N/EDA in GAMESS. 1. Recompiling GAMESS US with NBO6
›
I need to do energy decomposition analysis (EDA), but only have licenses for Gaussian and NBO6 (i.e. not ADF, turbomole, QChem etc.). NEDA i...
›
Home
View web version
