Kakali Sen - Dissemin

All papers authored by Kakali Sen

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2017 Zach N. Nilsson, Brian L. Mandella, Kakali Sen

, Demet Kekilli, Michael A. Hough, Pierre Moënne-Loccoz

, Richard W. Strange, Colin R. Andrew

Distinguishing Nitro vs Nitrito Coordination in Cytochrome c′ Using Vibrational Spectroscopy and Density Functional Theory

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Elise Duboué-Dijon, Eva Pluhařová, Dominik Domin, Kakali Sen

, Aoife C. Fogarty, Nicolas Chéron

, Damien Laage

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

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2016 Andrés M. Escorcia, Sen K., Kakali Sen

, Martha C. Daza, Markus Doerr, Walter Thiel

Quantum Mechanics/Molecular Mechanics Insights into the Enantioselectivity of the O-Acetylation of (R,S)-Propranolol Catalyzed by Candida antarctica Lipase B

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2014 Kakali Sen

, Rachel Crespo-Otero

, Walter Thiel

, Mario Barbatti

Electronic structure of fullerene-squaraine complexes for photovoltaic devices

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Kakali Sen

, Walter Thiel

Role of Two Alternate Water Networks in Compound I Formation in P450eryF

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2013 Iakov Polyak, Eliot Boulanger, Kakali Sen

, Walter Thiel

A microiterative intrinsic reaction coordinate method for large QM/MM systems

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2012 Kakali Sen

, Rachel Crespo-Otero

, Oliver Weingart, Walter Thiel

, Mario Barbatti

Interfacial States in Donor–Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions

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2010 Kakali Sen

, John C. Hackett

Peroxo−Iron Mediated Deformylation in Sterol 14α-Demethylase Catalysis

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2009 Kakali Sen

, John C. Hackett

Molecular Oxygen Activation and Proton Transfer Mechanisms in Lanosterol 14α-Demethylase Catalysis

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2006 Kakali Sen

Non-planar Amino Groups: Protein Structure Database Analysis and Ab Initio Quantum Chemical Studies on Model Systems

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Kakali Sen

, Samita Basu, Dhananjay Bhattacharyya

Ab initio studies on excited state intramolecular electron transfer in 4-amino- N -methylphthalimide and 3-amino- N -methylphthalimide

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2005 Kakali Sen

, Samita Basu, Dhananjay Bhattacharyya

Ab initio QM/MM study of excited state electron transfer between pyrene and 4,4?-bis(dimethylamino)-diphenylmethane with different solvent systems: Role of hydrogen bonding within solvent molecules

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2004 Kakali Sen

, Samita Basu

Effect of chain length on stoichiometry of complex formation between α,ω-diphenylpolyenes and N,N-dimethylaniline in excited state

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2002 Suchandra Bandyopadhyay, Kakali Sen

, Sharmistha Dutta Choudhury, Samita Basu

Exciplex parameters: Key factors in the dielectric behaviour of magnetodynamics

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Kakali Sen

Exciplex Parameters in Dielectric Behaviour of Magnetodynamics

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2001 Kakali Sen

, Suchandra Bandyopadhyay, Dhananjay Bhattacharya, Samita Basu

Dielectric Dependence of Magnetic Field Effect: A Tool for Identification of Exciplex and Triplex ‡

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All papers authored by Kakali Sen