Browsing Inorganic and Physical Chemistry (IPC) by Subject "Computational Chemistry"
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Solvent Effects on Photochemistry and Photophysics of Aromatic Carbonyls : A Raman and Computational study
(2017-12-16)Solvent effects play diverse roles in myriads of chemical, physical and biological processes. The solvent interacts with the solute by: i) non-specific (Coulombic, van der Waals interactions) and ii) specific interactions ... -
Theoretical Investigations of Excited State Proton Transfer in Selected Molecular Systems
Excited state proton transfer (ESPT) plays a key role in various chemical and biological systems, including DNA where it plays a role in the deactivation mechanism. Compared to the ground state, molecules typically have ...