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Electron-transfer-enabled concerted nucleophilic fluorination of azaarenes: selective C–H fluorination of quinolines
Direct C–H fluorination is an efficient strategy to construct aromatic C–F bonds, but the
cleavage of specific C–H bonds in the presence of other functional groups and the high …
cleavage of specific C–H bonds in the presence of other functional groups and the high …
B(C6F5)3-Catalyzed C(sp3)–H Alkylation of Tertiary Amines with Electron-Deficient Olefins: Determinants of Site Selectivity
The reason for the site selectivity previously reported for B (C6F5) 3-catalyzed C (sp3)–H
alkylation of tertiary amines with electron-deficient olefins remains a mystery. The selectivity …
alkylation of tertiary amines with electron-deficient olefins remains a mystery. The selectivity …
Reaction path Hamiltonian and the unified reaction valley approach
E Kraka - Wiley interdisciplinary reviews: computational …, 2011 - Wiley Online Library
One of the major goals of chemistry is to control chemical reactions with the purpose of
generating new compounds with useful properties. Control of a chemical reaction implies a …
generating new compounds with useful properties. Control of a chemical reaction implies a …
Reduction of CO2 to Methanol Catalyzed by a Biomimetic Organo-Hydride Produced from Pyridine
CH Lim, AM Holder, JT Hynes… - Journal of the American …, 2014 - ACS Publications
We use quantum chemical calculations to elucidate a viable mechanism for pyridine-
catalyzed reduction of CO2 to methanol involving homogeneous catalytic steps. The first …
catalyzed reduction of CO2 to methanol involving homogeneous catalytic steps. The first …
Theoretical and experimental study of 5-ethoxymethylfurfural and ethyl levulinate production from cellulose
H Zhao, Y Jia, X Liang, J Hao, G Xu, B Chen… - Chemical Engineering …, 2024 - Elsevier
Theoretical simulations and experiments were taken to explore the mechanism of cellulose
conversion into 5-ethoxymethylfurfural (EMF) and ethyl levulinate (EL) catalyzed by a mixed …
conversion into 5-ethoxymethylfurfural (EMF) and ethyl levulinate (EL) catalyzed by a mixed …
Copper‐Catalyzed Aryne Insertion into the Carbon‐Iodine Bond of Heteroaryl Iodides
WX Cao, L Zhu, Y He, R Wang, M Liu… - Angewandte …, 2023 - Wiley Online Library
Aryne insertions into the carbon‐iodine bond of heteroaryl iodides has been achieved for
the first time. This novel reaction provides an efficient pathway for the synthesis of valuable …
the first time. This novel reaction provides an efficient pathway for the synthesis of valuable …
DFT and dynamic analysis of glucose alcoholysis conversion to 5-ethoxymethylfurfural and ethyl levulinate
S Wang, Y Chen, Y Jia, C Wang, G Xu, Y Jiao, C He… - Fuel, 2022 - Elsevier
An effective catalytic strategy for the conversion of glucose to 5-ethoxymethylfurfural (EMF)
catalyzed by ultrastable Y zeolite (USY) in a co-solvent system was developed. Effects of co …
catalyzed by ultrastable Y zeolite (USY) in a co-solvent system was developed. Effects of co …
Development of a Zn‐Based Single‐Atom Nanozyme for Efficient Hydrolysis of Glycosidic Bonds
C Qiao, C Wang, H Luo, Y Ma, X Luo, S Zhang, D Huo… - Small, 2024 - Wiley Online Library
Hydrolytic enzymes are essential components in second‐generation biofuel technology and
food fermentation processes. Nanozymes show promise for large‐scale industrial …
food fermentation processes. Nanozymes show promise for large‐scale industrial …
The reaction force constant: an indicator of the synchronicity in double proton transfer reactions
D Yepes, JS Murray, P Politzer, P Jaque - … Chemistry Chemical Physics, 2012 - pubs.rsc.org
Earlier work, both experimental and computational, has drawn attention to the transition
region in a chemical reaction, which includes the traditional transition state but extends …
region in a chemical reaction, which includes the traditional transition state but extends …
The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+ 2] cycloaddition processes
A variety of experimental and computational analyses support the concept that a chemical
reaction has a transition region, in which the system changes from distorted states of the …
reaction has a transition region, in which the system changes from distorted states of the …