Copper‐Sulfur‐Nitrogen Cluster Providing a Local Proton for Efficient Carbon Dioxide Photoreduction
JP Dong, Y Xu, XG Zhang, H Zhang, L Yao… - Angewandte …, 2023 - Wiley Online Library
Atomically precise Cu clusters are highly desirable as catalysts for CO2 reduction reaction
(CO2RR), and they provide an appropriate model platform for elaborating their structure …
(CO2RR), and they provide an appropriate model platform for elaborating their structure …
The reaction mechanism of the Hydroamination of alkenes catalyzed by Gold (I)− Phosphine: The role of the counterion and the N-Nucleophile substituents in the …
The reaction mechanism of the gold (I)− phosphine-catalyzed hydroamination of 1, 3-dienes
was analyzed by means of density functional methods combined with polarizable continuum …
was analyzed by means of density functional methods combined with polarizable continuum …
Molecular structure, tautomer's, reactivity and inhibition studies on 6-Methyl-2-thiouracil for mild steel corrosion in aqueous HCl (1.00 M): Experimental and Theoretical …
Abstract Raman (3500-100 cm− 1) and FT-ATR (4000-360 cm− 1) spectra of solid 6-Methyl-
2-thiouracil (6M2TU) have been recorded in addition to 1 H and 13 C NMR along with Mass …
2-thiouracil (6M2TU) have been recorded in addition to 1 H and 13 C NMR along with Mass …
2-Mercaptopyrimidine as an effective inhibitor for the corrosion of cold rolled steel in HNO3 solution
X Li, S Deng, T Lin, X Xie, G Du - Corrosion Science, 2017 - Elsevier
The inhibition effect of five pyrimidine derivatives (2-chloropyrimidine, 2-hydroxypyrimidine,
2-bromopyrimidine, 2-aminopyrimidine, 2-mercaptopyrimidine) on the corrosion of cold …
2-bromopyrimidine, 2-aminopyrimidine, 2-mercaptopyrimidine) on the corrosion of cold …
Inhibition effect and adsorption behavior of two pyrimidine derivatives as corrosion inhibitors for Q235 steel in CO2-saturated chloride solution
X Wang, B Wang, Q Wang, R Li, H Liu, H Jiang… - Journal of …, 2021 - Elsevier
The anticorrosion performance of two pyrimidine derivatives 2-mercaptopyrimidine (2-MP)
and 4-methyl-2-mercaptopyrimidine (4 M− 2MP) on Q235 plain carbon steel in CO 2 …
and 4-methyl-2-mercaptopyrimidine (4 M− 2MP) on Q235 plain carbon steel in CO 2 …
Inhibition Effect and Mechanism of 2-Mercaptopyrimidine on Cobalt-Based Copper Interconnects Chemical Mechanical Polishing: Combined Experimental and DFT …
J Liu, X Niu, N Zhan, Y Zou, H Yan, M Qu… - Journal of The …, 2023 - iopscience.iop.org
Cobalt has been determined as a suitable barrier layer material for integrated circuits as the
feature size continuous reduction to 14 nm. To protect the copper and cobalt surfaces from …
feature size continuous reduction to 14 nm. To protect the copper and cobalt surfaces from …
Direct and solvent-assisted thione–thiol tautomerism in 5-(thiophen-2-yl)-1, 3, 4-oxadiazole-2 (3H)-thione: Experimental and molecular modeling study
The compound has been synthesized and characterized by IR, NMR and X-ray diffraction.
Quantum chemical calculations at B3LYP/6− 311++ G (d, p) level were performed to study …
Quantum chemical calculations at B3LYP/6− 311++ G (d, p) level were performed to study …
Olefin Epoxidation by H2O2/MeCN Catalysed by Cyclopentadienyloxidotungsten(VI) and Molybdenum(VI) Complexes: Experiments and Computations
C Dinoi, M Ciclosi, E Manoury, L Maron… - … A European Journal, 2010 - Wiley Online Library
Abstract Compounds [Cp* 2M2O5](M= Mo, 1; W, 2) are efficient pre‐catalysts for cyclooctene
(COE) epoxidation by aqueous H2O2 in acetonitrile/toluene. The reaction is quantitative …
(COE) epoxidation by aqueous H2O2 in acetonitrile/toluene. The reaction is quantitative …
An average solvent electrostatic configuration protocol for Qm/mm free energy optimization: Implementation and application to rhodopsin systems
Y Orozco-Gonzalez, M Manathunga… - Journal of chemical …, 2017 - ACS Publications
A novel atomistic methodology to perform free energy geometry optimization of a retinal
chromophore covalently bound to any rhodopsin-like protein cavity is presented and …
chromophore covalently bound to any rhodopsin-like protein cavity is presented and …
Experimental and molecular modeling investigation of (E)-N-{2-[(2-hydroxybenzylidene)amino]phenyl}benzenesulfonamide
The Schiff base compound (E)-N-{2-[(2-hydroxybenzylidene) amino] phenyl}
benzenesulfonamide has been synthesized and characterized by IR, NMR and Uv-vis …
benzenesulfonamide has been synthesized and characterized by IR, NMR and Uv-vis …