Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors

RK Roy, S Saha - Annual Reports Section" C"(Physical Chemistry), 2010 - pubs.rsc.org
This report describes the recent works on Conceptual Density Functional Theory (DFT)
based reactivity descriptors used to predict the regioselectivity of large systems …
被引用次数：111 相关文章
[PDF] psu.edu

[PDF][PDF] Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors

RK Roy, S Saha - Citeseer
This report describes the recent works on Conceptual Density Functional Theory (DFT)
based reactivity descriptors used to predict the regioselectivity of large systems …

Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors

RK Roy - 2010 - dspace.bits-pilani.ac.in
This report describes the recent works on Conceptual Density Functional Theory (DFT)
based reactivity descriptors used to predict the regioselectivity of large systems …