Results 111 to 120 of about 9,420,423 (308)

Steric strain versus hyperconjugative stabilization in ethane congeners

, 2005
Rotation barriers in the group IVB ethane congeners H3X-YH3 (X, Y = C, Si, Ge, Sn, Ph) have been systematically studied and deciphered using the ab initio valence bond theory in terms of the steric strain and hyperconjugation effect.
张乾二, 吴炜, Qianer Zhang, Wei Wu, Yuchun Lin, Lingchun Song, Yirong Mo   +6 more
core   +1 more source

Self‐Assembled Crystalline Peptoid Nanomaterials as Metal‐Free Enzyme Mimics for Enhanced Carbon Dioxide Hydration and Precipitation

Advanced Functional Materials, EarlyView.
Inspired by metal‐free carbonic anhydrases (CAs) that achieve efficient catalysis without metal cofactors, we herein report a sequence‐defined supramolecular peptoid platform that mimics metal‐free CAs and exhibits hydrolytic activity via a supramolecular assembly‐mediated proton‐transfer mechanism.
Progyateg Chakma, Ying Chen, Thi Kim Hoang Trinh, Anthony R. Perez, Jonathan Gil, Maria Casco Hidalgo, Botao Hao, Kyle Whitaker, Chun‐Long Chen   +8 more
wiley   +1 more source

Design and Construction of Novel Frustrated Lewis Pairs Based on Modified Lewis Acid B(C₆F₅)₃

Crystals
This study aims to systematically investigate the influence of substituent effects on the strength of Lewis acid–base interactions in frustrated Lewis pairs (FLPs). Specifically, -C6F5 groups of the classical Lewis acid B(C6F5)3 are sequentially replaced
Quanwei Wang, Zonggui Li, Yanuo Cui, Jiashuo Zhang, Huilin Li, Wei Li   +5 more
doaj   +1 more source

Topological Steric Effect Index and Its Application

, 2019
This paper proposed a Topological Steric Effect Index (TSEI) of a group based on the relative specific volume of the reaction center screened by the atoms of the substituents. Investigated results show good correlations between the parameter TSEI and the
Chenzhong Cao (1997827), Li Liu (75607)
core   +1 more source

Covalent Functionalization of 2D Semiconductors: A Roadmap to Advanced Electronic Devices

Advanced Functional Materials, EarlyView.
This Review presents recent advances in the covalent functionalization strategies for two‐dimensional semiconductors and their implementation in modern technologies. Layered materials are modified through diverse molecular chemistries (e.g., thiols, diazonium salts, alkyl halides, and electron‐deficient species) to tailor their surface properties ...
Ramiro Quirós‐Ovies, Bin Han, Paolo Samorì   +2 more
wiley   +1 more source

Dual Effect of Steric Hindrance in Non‐Aqueous Amine Absorbents: Navigating the Trade‐Off Between Kinetics and Thermodynamics for Efficient CO2 Capture

Advanced Science
Sterically hindered amines (SHAs) offering high theoretical capacity and reduced regeneration energy, yet their molecular mechanism, especially in non‐aqueous solvents, remains unclear.
Xiaoyi Gao, Bin Xu, Xi Tang, Muyi Li, Cong Luo, Fan Wu, Xiaoshan Li, Liqi Zhang, Wen Chen   +8 more
doaj   +1 more source

Normal, Leveled, and Enhanced Steric Effects in Alkoxyamines Carrying a beta-Phosphorylated Nitroxyl Fragment

, 2017
International audienceThe design of new R1R2NOR3 alkoxyamines for various applications relies on the accurate prediction of two kinetic parameters, the C-ON bond homolysis rate constant (k(d)) and its re-formation rate constant (k(c)).
Raphael Bikanga, Joly, Jean-Patrick, Bikanga, Raphael, Audran, Gerard, Nkolo, paulin, Paul Brémond, Bremond, Paul, Marque, Sylvain R.A., Marque, Sylvain R. A., Sylvain R. A. Marque, Jean-Patrick Joly, Paulin Nkolo, Gérard Audran   +12 more
core   +1 more source

Deciphering the Photopolymerization‐Induced Nanostructures and Interface Formation for Submicrometer Additive Manufacturing

Advanced Functional Materials, EarlyView.
This work reveals the UV‐curing‐induced monomer‐rich domain, oligomer‐rich domain, and entangled oligomer domain. The cured submicron films in stressed state induce interlayer nano‐wrinkle structures during the deposition of the second layer. Stress‐free cured films in relaxed state form non‐diffusive, diffusive and semi‐diffusive interlayer ...
Shouzheng Chen, Yufeng Zhai, Jungui Zhou, Lixing Li, Simon Schraad, Guangjiu Pan, Xuehe Jiang, Sarathlal Koyiloth Vayalil, Rolf A. T. M. van Benthem, Julien R. G. Navarro, Johan F. G. A. Jansen, Mats K. G. Johansson, Peter Müller‐Buschbaum, Stephan V. Roth   +13 more
wiley   +1 more source

A Steric Deuterium Isotope Effect in 1,1,3,3-Tetramethylcyclohexane

, 2016
The equilibrium isotope effect (EIE) for the interconversion of the two chair isotopomers of 1-trideutero-1,3,3-trimethylcyclohexane was predicted using geometry and vibrational force constants derived from electronic structure theory at HF, B3LYP, and ...
Frank A. L. Anet (2479402), Olga Kronja (2032654), Martin Saunders (413378), Max Wolfsberg (2479405)   +3 more
core   +2 more sources

Solvent Steric Effect in Keto-Enol Equilibria and its Quantitative Correlation with Alkyl Mass

, 1992
Department of Chemistry, University of Calicut, Calicut University P.O., Kerala-673 635 Manuscript received 11 October 1990, revised 2 June 1992, accepted 22 July 1992 Solvent Steric Effect in Keto-Enol Equilibria and its Quantitative Correlation with ...
J. M. JESSY, K. JOBY THOMAS
core   +1 more source