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Title: Exploring hydrogen bond in the excited state leading toward intramolecular proton transfer: detailed analysis of the structure and charge density topology along the reaction path using QTAIM
Authors: Mitra, Sivaprasad
Chandra, Asit K
Gashnga, Pynsakhiat Miki
Jenkins, Samantha
Kirk, Steven R
Keywords: Ab-intio calculation
Bond ellipticity
Covalent and metallic character
Intramolecular hydrogen bond
IRC analysis
Issue Date: 29-Nov-2012
Appears in Collections:Sivaprasad Mitra

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