Complexes of ammonia with propane and cyclopropane: electrostatic guidelines for ab initio treatment

• 11 December 1998
• journal article
• research article
• Published by Springer Nature in Theoretical Chemistry Accounts
• Vol. 100  (5-6) , 300-306
• https://doi.org/10.1007/s002140050390

Abstract

Keywords

• KEY WORDS: TOPOGRAPHY
• MOLECULAR ELECTROSTATIC POTENTIAL
• CRITICAL POINT
• AB INITIO CALCULATIONS