Results 11 to 20 of about 133,959 (307)
Redox Potential and Crystal Chemistry of Hexanuclear Cluster Compounds
Molecules, 2021 Most of TM6-cluster compounds (TM = transition metal) are soluble in polar solvents, in which the cluster units commonly remain intact, preserving the same atomic arrangement as in solids.
Elena Levi, Doron Aurbach, Carlo Gatti
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Metal–Metal Bond in the Light of Pauling’s Rules
Molecules, 2021 About 70 years ago, in the framework of his theory of chemical bonding, Pauling proposed an empirical correlation between the bond valences (or effective bond orders (BOs)) and the bond lengths.
Elena Levi, Doron Aurbach, Carlo Gatti
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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 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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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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Steric Effect on the Smiles Rearrangement
Chemical and Pharmaceutical Bulletin, 1968 Yoshifumi Maki +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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Frontiers in Chemistry, 2020 Membrane fouling remains a notorious problem in microfiltration (MF) and ultrafiltration (UF), and a systematic understanding of the fouling mechanisms is fundamental for solving this problem. Given a wide assortment of fouling studies in the literature,
Hao Xu +9 more
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