Published April 16, 1992 | Version v1
Journal article Metadata-only

Support for a principle of maximum hardness

Creators

  • 1. Univ. of California, Santa Barbara, CA (United States)

Description

Support for the Parr-Chattaraj principle of maximum hardness is provided by Hartree-Fock level computations on ammonia and ethane to determine their point groups. The Hellman-Feynman theorem is used to determine equilibrium bond angles and distances. 13 refs., 1 fig., 4 tabs

Additional details

Publishing Information

Journal Title
Journal of Physical Chemistry
Journal Volume
96
Journal Issue
8
Journal Page Range
p. 3283-3285.
ISSN
0022-3654
CODEN
JPCHAX

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
28031886
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
AMMONIA; BOND ANGLE; CHEMICAL BONDS; ETHANE; HARDNESS; HARTREE-FOCK METHOD
Descriptors DEC
ALKANES; CALCULATION METHODS; HYDRIDES; HYDROCARBONS; HYDROGEN COMPOUNDS; MECHANICAL PROPERTIES; NITROGEN COMPOUNDS; NITROGEN HYDRIDES; ORGANIC COMPOUNDS