Open AccessComparision of Molecular Geometry Based On Ab Initio (HF) and DFT (B3LYP) and Thermodynamic Parameters of 2-Amino-4-Methoxy-6-Methyl Pyrimidine
Author(s) -
Lalit Kumar,
Jyoti Chaudhary
Publication year - 2017
Publication title -
iosr journal of applied physics
Language(s) - English
Resource type - Journals
ISSN - 2278-4861
DOI - 10.9790/4861-0904013033
Subject(s) - ab initio , pyrimidine , computational chemistry , materials science , molecular geometry , molecule , chemistry , stereochemistry , organic chemistry