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A detailed dft/tddft study on excited‐state intramolecular hydrogen bonding dynamics and proton‐transfer mechanism of 2‐phenanthro[9,10‐d]oxazol‐2‐yl‐phenol
British Library Online Contents | 2018| -
Structural and thermochemical properties of methyl ethyl sulfide alcohols: hoch2sch2ch3, ch3sch(oh)ch3, ch3sch2ch2oh, and radicals corresponding to loss of h atom
British Library Online Contents | 2018| -
The controversy about nonclassical ions: finished too early?
British Library Online Contents | 2018| -
Design and interaction mechanism of ligand targeted with folate receptor α and β
British Library Online Contents | 2018| -
Anisotropic charge transport properties of chrysene derivatives as organic semiconductor: a computational study
British Library Online Contents | 2018| -
The isomerization of cytosine: intramolecular hydrogen atom transfer mediated through formic acid
British Library Online Contents | 2018| -
Charge transport and prototypical optical absorptions in functionalized zinc phthalocyanine compounds: a density functional study
British Library Online Contents | 2018| -
Two salts and the salt cocrystal of ciprofloxacin with thiobarbituric and barbituric acids: the structure and properties
British Library Online Contents | 2018| -
Reaction mechanism of chitosan/acrylamides dimer: a dft study
British Library Online Contents | 2018| -
Visible to nir absorbing c–n and c–c bonding squaraines: a computational study
British Library Online Contents | 2018| -
Synthesis, characterization, and biological activity of schiff bases metal complexes
British Library Online Contents | 2018| -
Computational design of tetrazolone‐based high‐energy density energetic materials: property prediction and decomposition mechanism
British Library Online Contents | 2018| -
Microwave‐assisted facile synthesis of propargylamine library by robust nitro functionalized cross‐linked polystyrene resin supported cu nps
British Library Online Contents | 2018| -
Substituent effects on the uv absorption energy of 2,5‐disubstituted pyrimidines
British Library Online Contents | 2018| -
Theoretical investigation on the excited state intramolecular proton coupled charge transfer phenomenon for a novel fluorophore
British Library Online Contents | 2018| -
Examination of ethanol interactions with trp‐cage peptide through md simulations and intermolecular nuclear overhauser effects
British Library Online Contents | 2018|
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