Gas-phase structures of dithietane derivatives, including an electron diffraction study of 1,3-dithietane 1,1,3,3-tetraoxide

Wann, Derek A.; Bil, Andrzej; Lane, Paul D.; Robertson, Heather E.; Rankin, David W. H.; Block, Eric

doi:10.1007/s11224-012-0179-8

Cited by 3 publications

(1 citation statement)

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“…Wann et al [48] investigated 1,3-dithietane 1,1,3,3-tetraoxide using GED, DFT, MP2, and atoms in molecule (AIM) methods to estimate a rather flat potential energy surface along the C-S-S-C puckering mode. No thermochemical data are available for any of the above-mentioned thietane oxides.…”

Section: Issuementioning

confidence: 99%

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 3–4) and the discipline

et al. 2014

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The contents of issues 3 and 4 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. A brief thermochemical commentary is added to the summary of each paper. Abbreviations AIM Atoms in molecules BNNT Boron nitride nanotube CNC Carbon nanocone CSD Crystal structure determination DFT Density functional theory DNB 1,5-Dinitrobiuret EDA Energy decomposition analysis HF Hartree-Fock GED Gas electron diffraction GIAO Gauge-independent atomic orbital HOMA Harmonic oscillator measure of aromaticity MD Molecular dynamics MP Møller-Plesset perturbation MP2Second-order Møller-Plesset perturbation NRT Natural resonance theory ONIOM Our own N-layered integrated molecular orbital and molecular mechanics QTAIM Quantum theory of atoms-in-molecules NAO Natural atomic orbital NBO Natural bond orbital PES Potential energy surface

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Section: Issuementioning

confidence: 99%