<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tanwar, A</style></author><author><style face="normal" font="default" size="100%">Pal, S</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Separability of local reactivity descriptors</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Sciences</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">condensed Fukai functions</style></keyword><keyword><style  face="normal" font="default" size="100%">Local reactivity descriptors</style></keyword><keyword><style  face="normal" font="default" size="100%">molecular interactions</style></keyword><keyword><style  face="normal" font="default" size="100%">separability</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2005</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">5</style></number><publisher><style face="normal" font="default" size="100%">INDIAN ACAD SCIENCES</style></publisher><pub-location><style face="normal" font="default" size="100%">C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA</style></pub-location><volume><style face="normal" font="default" size="100%">117</style></volume><pages><style face="normal" font="default" size="100%">497-505</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The size-dependence of different local reactivity descriptors of dimer A(2) and AB type of systems is discussed. We derive analytic results of these descriptors calculated using finite difference approximation. In particular, we studied Fukui functions, relative electrophilicity and relative nucleophilicity, local softness and local philicity. The results are explained using the example of the dimer of BH3NH3.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">5</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">Indian</style></custom3><custom4><style face="normal" font="default" size="100%">1.085</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Horny, L</style></author><author><style face="normal" font="default" size="100%">Schaefer, HF</style></author><author><style face="normal" font="default" size="100%">Hubac, I</style></author><author><style face="normal" font="default" size="100%">Pal, S</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">On the single-root approach within the framework of coupled-cluster theory in fock space</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2005</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">3</style></number><publisher><style face="normal" font="default" size="100%">ELSEVIER SCIENCE BV</style></publisher><pub-location><style face="normal" font="default" size="100%">PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS</style></pub-location><volume><style face="normal" font="default" size="100%">315</style></volume><pages><style face="normal" font="default" size="100%">240-250</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;A thorough formulation of Fock Space Brillouin-Wigner Coupled Cluster method is presented following previous developments [N.D.K. Petraco, L Horny, H.F. Schaefer, I. Hubac, J. Chem. Phys. 117 (2002) 9580]. The new method is designed to avoid the intruder states problem, and introduces the single-root solution feature which has not been considered yet within valence-universal methods. The explicit equations for the (0,1) sector of the Fock space are introduced. (C) 2005 Elsevier B.V. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">3</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">1.758</style></custom4></record></records></xml>