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Analytical solution of electronic transport through a benzene molecule using lattice Green's functions [PDF]
Journal of Physics: Condensed Matter, 2015 Accepted for publication in Journal of Physics Condensed ...
Dias, E. J. C., Peres, N. M. R.
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Reorientation of thiophene molecules in a benzene lattice [PDF]
Canadian Journal of Chemistry, 1978 Benzene and thiophene are known to form solid solutions over the entire composition range; the present work demonstrates the orientational freedom of thiophene molecules in solid solution with excess perdeuterobenzene, through measurements of spin–lattice relaxation times.
Sanford, William E. +2 more
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Vibrational spectroscopic and quantum theoretical study of host-guest interactions in clathrates: I. Hofmann type clathrates [PDF]
Journal of the Serbian Chemical Society, 2000 Hofmann type clatharates are host-guest compounds with the general formula M(NH3)2M'(CN)4·2G, in which M(NH3)2M'(CN)4 is the host lattice and G is benzene, the guest molecule.
VLADIMIR M. PETRUSEVSKI +3 more
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DEARYLATION IN THE INTERACTIONS BETWEEN (Et3NH)HC2O4 OR (Et3NH)2C2O4 AND SnPh3Cl: INFRARED STUDY
Journal of Engineering Studies and Research, 2017 Five new oxalato, hydrogenoxalato and hydrogenocarbonato adducts (three) and complexes (two) obtained on allowing (Et3NH)HC2O4 or (Et3NH)2C2O4 to react with SnPh3Cl have been studied by infrared spectroscopy, then discrete structures suggested on the ...
GORGUI AWA SECK +2 more
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Poly[[diaqua(μ8-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]
Acta Crystallographica Section E, 2012 In the title complex, {[CaZn(C10H2O8)(H2O)2]·H2O}n, the ZnII ion is coordinated by four O atoms from four benzene-1,2,4,5-tetracarboxylate anions in a distorted tetrahedral geometry.
Yong-Yan Jia, Bo Chen, Yu-Xia Yuan
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Computation, 2022 The interest for properties of clusters deposited on surfaces has grown in recent years. In this framework, the Density Functional based Tight Binding (DFTB) method appears as a promising tool due to its ability to treat extended systems at the quantum ...
Mathias Rapacioli, Nathalie Tarrat
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A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan
IUCrJ, 2016 Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations.
Helen E. Maynard-Casely +4 more
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Acta Crystallographica Section E, 2013 The crystal structure of the title compound, [Cd(C7H5O3)2(C6H6NO)2(H2O)2]·2[Cd(C7H5O3)2(C6H6NO)(H2O)2]·4H2O, consists of two kinds of CdII complexes (A and B) and lattice water molecules.
Nagihan Çaylak Delibaş +2 more
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Nanomaterials, 2021 Carbon nanomaterials, such as carbon nanotubes (CNTs) and graphene sheets (GSs), have been adopted as resonators in vibration-based nanomechanical sensors because of their extremely high stiffness and small size.
Xiao-Wen Lei, Kazuki Bando, Jin-Xing Shi
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Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces [PDF]
, 2014 Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on extended metal surfaces has become possible in recent years thanks to exciting developments in density functional theory (DFT).
Alexandre Tkatchenko +5 more
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