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geometry consistent with other three-coordinate S(IV) compounds, with a nonbonded electron pair on the approximately tetrahedral sulfur atom. Dimethyl sulfoxide...

An intermolecular force (IMF; also secondary force) is the force that mediates interaction between molecules, including the electromagnetic forces of attraction...

{C_{ii}C_{jj}}}} . Intramolecular nonbonded interactions E n o n b o n d e d {\displaystyle E_{\mathrm {nonbonded} }} are counted only for atoms three...

already deducible from the charge and atomic number, as generally true for nonbonded valence electrons in skeletal structures. Many functional groups also...

strain van der Waals surface Rowland RS, Taylor R (1996). "Intermolecular nonbonded contact distances in organic crystal structures: comparison with distances...

with nonbonded amalgam restorations. In view of the lack of evidence on the additional benefit of adhesively bonding amalgam compared with nonbonded amalgam...

be written as E total = E bonded + E nonbonded {\displaystyle E_{\text{total}}=E_{\text{bonded}}+E_{\text{nonbonded}}} where the components of the covalent...

radical substitution reaction. Meanwhile, the oxygen atom has lone pairs of nonbonded electrons that render it weakly basic in the presence of strong acids...

convention also generally requires that a spherical cutoff radius for nonbonded forces be at most half the length of one side of a cubic box. Even in...

Furthermore, the dehydration stabilizes the hydrogen bond by destabilizing the nonbonded state consisting of dehydrated isolated charges. Wool, being a protein...

mechanism as their covalent counterparts. The spin–spin coupling between nonbonded atoms in close proximity has sometimes been observed between fluorine...

}(\omega -\omega _{0})^{2}+\sum _{Urey-Bradley}k_{u}(u-u_{0})^{2}\\&+\sum _{nonbonded}\left(\epsilon _{ij}\left[\left({\frac {R_{min_{ij}}}{r_{ij}}}\right)^{12}-2\left({\frac...

preferences to reside in those that minimize the number of transannular nonbonded interactions within the ring. Medium rings (8-11 atoms) are the most strained...

about 120°. The angle may vary because of steric strain introduced by nonbonded interactions between functional groups attached to the carbon atoms of...

with preference to reside in conformations that minimize transannular nonbonded interactions within the ring.[citation needed] Analysis of factors important...

crystal structures of hydrocarbons, and on amino acids using short (0.8 nm) nonbonded cutoff radii. In 1996, a substantial rewrite of the software package was...

the homomorph method, and more simply—using estimated enthalpies of nonbonded interactions within a molecule. Because all of these methods are approximations...

Jay K. (1990). "Redox equilibria of the nitrosonium cation and of its nonbonded complexes". Inorganic Chemistry. 29 (21): 4196–4204. doi:10.1021/ic00346a008...

with central atoms other than carbon. 2. Strong interactions between nonbonded substituents in mono- and polyfluorinated first- and second-row amines...

controlled in the input file. The output places emphasis on reporting on nonbonded interactions such as van der Waals force and electrostatics interactions...

molecule as a whole because of steric repulsion between the large groups' nonbonded electron pairs and the electrons of the smaller groups (i.e. hydrogens)...

isoelectronic carbocations. The decisive roles of orbital mixing and nonbonded 1,3-interactions in the structures of four-membered rings". Journal of...

Investigations on Chalcogen−Chalcogen Interactions: What Makes These Nonbonded Interactions Bonding?". Journal of the American Chemical Society. 128...

lengths actually increase rather than decrease; this is mainly due to 1,3-nonbonded steric repulsion. In terms of reactivity, cyclobutane is relatively inert...

Parthasarathy, R.; Dunitz, J. D. (1977). "Directional preferences of nonbonded atomic contacts with divalent sulfur. 1. Electrophiles and nucleophiles"...

Errat program (Colovos and Yeates 1993), which considers distributions of nonbonded atoms according to atom type and distance, and the energy strain method...

radius van der Waals strain Rowland RS, Taylor R (1996). "Intermolecular nonbonded contact distances in organic crystal structures: comparison with distances...

heats of vaporization. These early OPLS parameters emphasized fitting nonbonded interactions, including Lennard-Jones and electrostatic terms, through...