Results 11 to 20 of about 290,507 (301)
Geometric and energetic data from quantum chemical calculations of halobenzenes and xylenes
Data in Brief, 2020 This article presents theoretical data on geometric and energetic features of halobenzenes and xylenes. Data were obtained from ab initio geometry optimization and frequency calculations at HF, B3LYP, MP2 and CCSD levels of theory on 6–311++G(d,p) basis ...
Sopanant Datta, Taweetham Limpanuparb
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Sea Level Seasonal, Interannual and Decadal Variability in the Tropical Pacific Ocean
Remote Sensing, 2021 The satellite altimeter data, temperature and salinity data, and 1.5-layer reduced gravity model are used to quantitatively evaluate the contributions of the steric effect and the dynamic process to sea level variations in the Tropical Pacific Ocean (TPO)
Jianhu Wang +4 more
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Steric Effects on Electroosmotic Nano-Thrusters under High Zeta Potentials
Mathematics, 2021 Here, space electroosmotic thrusters in a rigid nanochannel with high wall zeta potentials are investigated numerically, for the first time, considering the effect of finite size of the ionic species. The effect, which is called a steric effect, is often
Jiaxuan Zheng, Siyi An, Yongjun Jian
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Steric-effect-induced enhancement of electrical-double-layer overlapping phenomena\ud [PDF]
, 2011 In this paper, we demonstrate that nontrivial interactions between steric effect and electrical-double-layer (EDL) overlap phenomena may augment the effective extent of EDL overlap in narrow fluidic confinements to a significant extent by virtue of ...
Chakraborty, Suman, Das, Siddhartha
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A Model for Granular Texture with Steric Exclusion [PDF]
, 2002 We propose a new method to characterize the geometrical texture of a granular packing at the particle scale including the steric hindrance effect. This method is based on the assumption of a maximum disorder (entropy) compatible both with strain-induced ...
F. Calvetti +8 more
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Steric and Stereochemical Modulation in Pyridyl- and Quinolyl-Containing Ligands
Molecules, 2016 Nitrogen-containing pyridine and quinoline are outstanding platforms on which excellent ionophores and sensors for metal ions can be built. Steric and stereochemical effects can be used to modulate the affinity and selectivity of such ligands toward ...
Zhaohua Dai
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Effect of 2-Substitution on the Rearrangement of 1-Cyclopropylvinyl Cations [PDF]
, 1973 2-Substitution in 1-cyclopropylvinyl cations produces a steric effect on cation generation and solvent trapping, but an electronic charge-stabilizing effect on cyclopropyl-to-cyclobutyl ...
Bergman, Robert G., Kelsey, Donald R.
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Kinetics of the reaction of 5-substituted orotic acids with diazodiphenylmethane [PDF]
Journal of the Serbian Chemical Society, 2004 Rate konstants for the reaction of eight 5-substituted orotic acids with diazodiphenylmethane (DDM) in dimethylformamide (DMF) were determined at 30 ºC by the known spectrophotometricmethod.
Jovanović Bratislav Ž. +2 more
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Electronic integral characteristics of groups in the fluoro-substituted of isobutan and neopentan [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2018 Within a «quantum theory of atoms in molecules» (QTAIM) the equilibrium geometry and the electron structure of fluoro-substituted molecules (CH3)2−CH−CH(3-n)Fn and (CH3)3−C−CH(3-n)Fn, where 1 ≤ n ≤ 3, were studied.
A.V. Kotomkin +3 more
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International Journal of Electrochemical Science, 2018 This article indicated a novel methodology of evaluation of steric effect of (hydroquinone (HQ), tert-Butyl hydroquinone (TBHQ) and 2, 5-ditert-butyl hydroquinone (DTBHQ)) by using a Briggs-Rauscher chemical oscillating system.
Saif Ullah +4 more
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