×
Log in
Upload File
Most Popular
Art & Photos
Automotive
Business
Career
Design
Education
Hi-Tech
+ Browse for More
The top documents tagged [b3lyp functional]
Education
Density functional theory calculations on Ruthenium polypyridyl complexes incorporating 1,2,4-triazole
797 views
Science
Cis Vs. Trans: Squaraine Molecules as Potential Sensitizers for Dye Sensitized Solar Cells
123 views
Documents
Quadruply bonded M 2 complexes incorporating thienylvinyl carboxylates Carly R. Reed, Malcolm H. Chisholm, Claudia Turro 6.21.2010 65th International Symposium
220 views
Documents
Kirin 2012/11/30. reaction pathways at different methods 2
213 views
Documents
CHPC: 2013 National Meeting and Conference 2–6 December Cape Town International Convention Centre
21 views
Documents
A Deuterium NMR and Quantum Chemical Study of N — H ... X Hydrogen Bonding in Solids
35 views
Documents
Kirin
45 views
Documents
Approximate Molecular Orbital Methods
240 views