Sodium Parameters for AM1 and PM3 Optimized Using a Modified Genetic Algorithm
- 13 February 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 106 (10), 2779-2785
- https://doi.org/10.1021/jp012637q
Abstract
No abstract availableKeywords
This publication has 40 references indexed in Scilit:
- A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas PhaseJournal of the American Chemical Society, 1999
- Lithium and Sodium Ion Binding Energies of N-Acetyl and N-Glycyl Amino AcidsJournal of the American Chemical Society, 1999
- Solvation of Sodium Dimer in Ammonia Clusters: Photoelectron Spectroscopy and ab Initio Study of Na2-(NH3)nThe Journal of Physical Chemistry A, 1998
- Alkali ion carbonyls: sequential bond energies of Li+(CO)x (x = 1−3), Na+(CO)x (x = 1, 2) and K+(CO)International Journal of Mass Spectrometry and Ion Processes, 1998
- Ab initio study of the adducts of carbon monoxide with alkaline cationsThe Journal of Chemical Physics, 1996
- Potential Energy Surface of Protonated Formamide and of Formamide-X+ (X = Li, Na, Mg, and Al) ComplexesThe Journal of Physical Chemistry, 1995
- Thermochemical determinations by the kinetic methodMass Spectrometry Reviews, 1994
- On the sodium and lithium ion affinities of some α-amino acidsJournal of Mass Spectrometry, 1993
- Thermochemical properties of gas-phase mixed clusters: water/carbon dioxide with sodium(1+)The Journal of Physical Chemistry, 1984
- Effect of electronic state of carbon atoms on their reactions with cyclopentadiene in inert gas moderated systemsJournal of the American Chemical Society, 1977