Calculation of the Geometrical Structure of Some AHn Molecules

journal article
Published by National Institute of Standards and Technology (NIST) in Journal of Research of the National Bureau of Standards Section A: Physics and Chemistry

Vol. 68 (6) , 635-644
https://doi.org/10.6028/jres.068A.063

Abstract

Approximate Hartree-Fock calculations for H3, CH2, NH2, H2O, H2O+, BH4−, NH4+, and CH4 have been used to determine equilibrium angles and internuclear separations. The results are in good agreement with the experimental values where these exist.

Keywords

AHN MOLECULES
CALCULATION OF THE GEOMETRICAL
GEOMETRICAL STRUCTURE OF SOME AHN