CCCC > Archive > Keywords > Proton transfer
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Proton transfer
- Adam Pecina, Ondřej Přenosil, Jindřich Fanfrlík, Jan Řezáč, Jaroslav Granatier, Pavel Hobza* and Martin Lepšík*
On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes
2011, Vol. 76, Issue 5, pp. 457–479
[Abstract]
- Robert Ponec
Molecular Basis of LFER. Simple Model for the Estimation of Brønsted Exponent in Acid-Base Catalysis
2004, Vol. 69, Issue 12, pp. 2121–2133
[Abstract]
- Silmar A. do Monte*, Michal Dallos, Thomas Müller and Hans Lischka*
MR-CISD and MR-AQCC Calculation of Excited States of Malonaldehyde: Geometry Optimizations Using Analytical Energy Gradient Methods and a Systematic Investigation of Reference Configuration Sets
2003, Vol. 68, Issue 3, pp. 447–462
[Abstract]
