Finding Contents or People

DFT Study of the effects of counter ions on bonding molecular and spectral properties of pentaflourophenyl xenonium diflouride cation
Synthesis characterization and DFT studies of a novel azo dye derived from racemic or optically active binaphthol
Coupled cluster MP2 and DFT study of structures stabilities vibrations and bonding properties of XXeOH (X F Cl Br and I)
DFT and MP2 study of isomery scheme in Formazan and intermolecular and intramolecular proton transfer between its tautomers
Linear free energy relationship for the anomeric effect MP2 DFT and ab initio study of 2-substituted-1 4-dioxanes
Linear free energy relationship for the anomeric effect MP2 DFT and ab initio study of 2-substituted-1 4-dioxanes
The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: A full DFT study on carbene versus non-carbene mechanisms
Impact of tautomerism on copper corrosion inhibition by 3-amino-1,2,4-triazole-5-thiol: A DFT and Monte Carlo study
Electric-field-enhanced high performance of monolayer polyaniline g-C3N for lung cancer identification: a DFT study
The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms
A mechanistic study of the electrochemical reaction between nitrostyrene and benzaldehyde: DFT calculations on all possible routes and intermediates
Impact of tautomerism on copper corrosion inhibition by 3-amino-1,2,4-triazole-5-thiol: A DFT and Monte Carlo study
SO2 removal from gas streams by ammonia scrubbing: Process optimization by response surface methodology
High-efficiency photoelectrochemical cathodic protection performance of the iron-nitrogen-sulfur-doped TiO 2 nanotube as new efficient photoanodes
High-efficiency photoelectrochemical cathodic protection performance of the iron-nitrogen-sulfur-doped TiO 2 nanotube as new efficient photoanodes