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The electronic origin of unusually large (n)J(FN) coupling constants in some fluoroximes
(Wiley-blackwellHobokenEUA, 2013)
The electronic origin of unusually large nJFN coupling constants in some Fluoroximes
(Wiley, 2013-04-04)
SOPPA(CCSD) calculations show that the FC term is the most important contribution to the through-space transmission of JFN coupling constants for the fluoroximes studied in this work. Because of the well-known behavior of ...
Effect of Electronic Interactions on NMR (1)J(CF) and (2)J(CF) Couplings in cis- and trans-4-t-Butyl-2-fluorocyclohexanones and Their Alcohol Derivatives
(Amer Chemical SocWashingtonEUA, 2011)
Crystal structure determination of karibibite, an Fe3+ arsenite, using electron diffraction tomography
(Mineralogical Soc, 2017-10)
The crystal structure of karibibite, Fe3+3 (As3+O2)4(As3+2 O5)(OH), from the Urucum mine (Minas Gerais, Brazil), was solved and refined from electron diffraction tomography data [R1 = 18.8% for F > 4σ(F)] and further ...
Lone-pair orientation effect of an alpha-oxygen atom on (1)J(CC) NMR spin-spin coupling constants in o-substituted phenols. Experimental and DFT study
(Amer Chemical SocWashingtonEUA, 2007)
F-19 chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes
(Wiley-blackwellMaldenEUA, 2011)
Structure of a dinuclear cadmium complex with 2,2'-bipyridine, monodentate nitrate and 3-carboxy-6-methylpyridine-2-carboxylate ligands: Intramolecular carbonyl(lone pair)···π(ring) and nitrate(π)···π(ring) interactions
(International Union of Crystallography, 2015-07)
The centro symmetric dinuclear complex bis(μ-3-carboxy-6-methylpyridine-2-carboxylato)-κ3N,O2:O2;κ3O2:N,O2-bis[(2,2'-bipyridine-κ2N,N')(nitrato-κO)-cadmium] methanol monosolvate, [Cd2(C8H6NO4)2(NO3)2(C10H8N2)2]·CH3OH, was ...
General adsorption model for H2S, H2Se, H2Te, NH3, PH3, AsH3 and SbH3 on the V2O5(0 0 1) surface including the van der Waals interaction
(Elsevier Science, 2019-04)
Density functional theory, including the van der Waals interaction, has been used to study the interaction between some small molecules with lone pairs and the V2O5(0 0 1) surface. Results reveal that the naked vanadium ...