Filtros de búsqueda

Lista de obras de Debasish Mandal

A cyclization-induced emission enhancement (CIEE)-based ratiometric fluorogenic and chromogenic probe for the facile detection of a nerve agent simulant DCP.

artículo científico publicado en 2015

Aminolysis of a model nerve agent: a computational reaction mechanism study of O,S-dimethyl methylphosphonothiolate

artículo científico publicado en 2012

Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent?

artículo científico publicado en 2018

Computational study on the growth of gallium nitride and a possible source of oxygen impurity

artículo científico publicado en 2010

Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes

artículo científico publicado en 2015

Emergence of Function in P450-Proteins: A Combined Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty Acids

artículo científico publicado en 2016

Fluorescence sensing of caffeine in aqueous solution with carbazole-based probe and imaging application in live cells

artículo científico publicado en 2012

Highly sensitive and selective rhodamine-based "off-on" reversible chemosensor for tin (Sn4+) and imaging in living cells

artículo científico publicado en 2013

How does tunneling contribute to counterintuitive H-abstraction reactivity of nonheme Fe(IV)O oxidants with alkanes?

artículo científico publicado en 2015

Interaction between group IIb divalent transition-metal cations and 3-mercaptopropionic acid: a computational and topological perspective

artículo científico publicado en 2013

Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme Ru(IV)O Complex

artículo científico publicado en 2015

Interplay of Tunneling, Two-State Reactivity, and Bell-Evans-Polanyi Effects in C-H Activation by Nonheme Fe(IV)O Oxidants

artículo científico publicado en 2016

Isomerization and decomposition of a model nerve agent: a computational analysis of the reaction energetics and kinetics of dimethyl ethylphosphonate

artículo científico publicado en 2010

Kinetics and mechanism of the tropospheric oxidation of vinyl acetate initiated by OH radical: a theoretical study

artículo científico publicado en 2013

Nucleophilic degradation of fenitrothion insecticide and performance of nucleophiles: a computational study

artículo científico publicado en 2012

Oriented electric fields as future smart reagents in chemistry

artículo científico publicado en 2016

Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC.

artículo científico publicado en 2015

Pyrolysis of tert-butyl tert-butanethiosulfinate, t-BuS(O)St-Bu: a computational perspective of the decomposition pathways

artículo científico publicado en 2011

Ratiometric sensing of fluoride and acetate anions based on a BODIPY-azaindole platform and its application to living cell imaging

artículo científico publicado en 2013

Structure and reactivity/selectivity control by oriented-external electric fields

artículo científico publicado en 2018

Structure and spin state of nonheme FeIVO complexes depending on temperature: predictive insights from DFT calculations and experiments

artículo científico publicado en 2017

The association reaction between C2H and 1-butyne: a computational chemical kinetics study

artículo científico publicado en 2011

Dominio Público Uruguay está sostenido por:

Acerca de Dominio Público Uruguay

Ayuda