ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Proton affinities, geometries with optimized parameters, and net atomic charges are reported for guanidine-, methyl-, amino-, and fluoro-substituted guanidines. The results are obtained using the ab initio SCF method as implemented by the GAUSSIAN-70 computer program with a 6-31G basis set. Basicity is discussed in terms of electron distribution and intramolecular attraction forces.
Additional Material:
3 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560200315
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