quasimoleculevan der Waals moleculesthermodynamicsquantum chemistryInteraction energies ΔE accompanying the formation of van der Waals (VDW) systems may be estimated by means of the formula ΔE = ΔESCF + BSSE + ED(r6, r8, r10), where BSSE is the basis set superposition error and ED is ...
Van der Waals molecules 来自 ResearchGate 喜欢 0 阅读量: 65 作者: BM Smirnov 摘要: The numerical parameters of potential wells are presented for loosely bound van der Waals molecules and molecular ions. The ionization potentials of van der Waals molecules are also given. 关键词: Polarization ...
Single-molecule imaging is challenging but highly beneficial for investigating intermolecular interactions at the molecular level1,2,3,4,5,6. Van der Waals interactions at the sub-nanometre scale strongly influence various molecular behaviours under confinement conditions7,8,9,10,11. Inspired by the ...
Cui L, Hur S, Akbar ZA,et al.Thermal conductance of single-molecule junctions. Nature, 2019, 572: 628–633 ArticleCASPubMedGoogle Scholar et al. ArticleCASPubMedGoogle Scholar Book 3van der Waals nanowires. Nano Lett, 2017, 17: 377–383 ...
Van Der Waals In subject area: Mathematics A van der Waals fluid is defined as a one-component fluid (or a suspension of monodisperse colloidal particles) with a hard-core repulsion and an additional attractive pair-interaction potential w of infinite range. From: Studies in Interface Science, ...
Structure and Properties of the Cryptophane-E CHCl3 Complex a Stable van der Waals Molecule[J]. Angew Chem Int Ed Engl,1989,28: 1246-1248.CANCEILL J,CESARIO M,COLLLET ANDRE,et a1.Structure and Properties of the Cryptophane--E CHCl3 Complex a Stable van der Waals Molecule[J].Angew(?
Ar van der Waals Molecule]]>Van Der Waals MoleculesCalculationsMøller-Plesset Perturbation TheoryExcitation Spectra31.15.Ar31.25.Nj31.25.Qm31.15.Md31.50.+wIn the present contribution, we performed ab initio Møller-Plesset perturbation theory second-order (MP2) calculations in the framework of the...
The strength of van der Waals forces depends primarily on the number of electrons in the atom or molecule. So, larger atoms and molecules will have greater forces. 2. Shape of the Molecule For isoelectronic molecules, i.e., isomers with the same number of electrons, the factor that determin...
The structure of the van der Waals molecule N2–HCl has been determined by molecular beam electric resonance spectroscopy. The microwave spectrum is well f... RS Altman,MD Marshall,W Klemperer - 《Journal of Chemical Physics》 被引量: 206发表: 1983年 Structure and properties of the argonacetyl...