BOND-FUNCTION ANALYSIS OF THE HYDROGEN BOND ENERGY IN THE LINEAR WATER DIMER

dc.creator	Bowers, M. J. T.	en_US
dc.creator	Pitzer, Russell M.	en_US
dc.date.accessioned	2006-06-15T13:30:52Z
dc.date.available	2006-06-15T13:30:52Z
dc.date.issued	1972	en_US
dc.identifier	1972-EE-6	en_US
dc.identifier.uri	http://hdl.handle.net/1811/8984
dc.description	Author Institution: Department of Chemistry, The Ohio State University	en_US
dc.description.abstract	The hydrogen bond energy of the isolated linear water dimer has been investigated from the standpoint of the bond function approximation. The resulting hydrogen bond energy is in reasonable agreement with that obtained from SCF calculations, but the bond function approach provides a simple description of the relative contributions from electrostatic, overlap repulsion, and charge transfer effects. A minimum basis set of Slater orbitals was utilized throughout.	en_US
dc.format.extent	67085 bytes
dc.format.mimetype	image/jpeg
dc.language.iso	English	en_US
dc.publisher	Ohio State University	en_US
dc.title	BOND-FUNCTION ANALYSIS OF THE HYDROGEN BOND ENERGY IN THE LINEAR WATER DIMER	en_US
dc.type	article	en_US