Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 1
Results: 26
Isomerization and fragmentation pathways of 1,2-azaborine.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 110, doi. 10.1002/jcc.24189
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- Publication type:
- Article
Ab initio/GIAO-CCSD(T) <sup>13</sup>C NMR study of the rearrangement and dynamic aspects of rapidly equilibrating tertiary carbocations, C<sub>6</sub>.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 70, doi. 10.1002/jcc.24019
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- Publication type:
- Article
Re-evaluation of the bond length-bond strength rule: The stronger bond is not always the shorter bond.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 130, doi. 10.1002/jcc.24207
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- Publication type:
- Article
Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 93, doi. 10.1002/jcc.24038
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- Publication type:
- Article
The barrier to the methyl rotation in C is-2-butene and its isomerization energy to T rans-2-butene, revisited.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 143, doi. 10.1002/jcc.24223
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- Publication type:
- Article
Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chains.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 59, doi. 10.1002/jcc.23976
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- Publication type:
- Article
Paul Von Ragué Schleyer (1930-2014).
- Published in:
- 2016
- Publication type:
- Editorial
Coming Soon, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Table of Contents, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Editorial Board, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Copyright, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Molybdatricarbaboranes as examples of isocloso metallaborane deltahedra with three carbon vertices.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 64, doi. 10.1002/jcc.23995
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- Publication type:
- Article
The origins of the directionality of noncovalent intermolecular interactions<sup>#</sup>.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 34, doi. 10.1002/jcc.23946
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- Publication type:
- Article
Schleyer hyperconjugative aromaticity and Diels- Alder reactivity of 5-substituted cyclopentadienes.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 117, doi. 10.1002/jcc.24191
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- Publication type:
- Article
Catenanes: A molecular mechanics analysis of the (C<sub>13</sub>H<sub>26</sub>)<sub>2</sub> Structure 13-13 D2.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 124, doi. 10.1002/jcc.24193
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- Publication type:
- Article
Cover Image, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Cover Image, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Cover Image, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 78, doi. 10.1002/jcc.24021
- By:
- Publication type:
- Article
Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 83, doi. 10.1002/jcc.24025
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- Publication type:
- Article
From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg- Coxeter fullerenes up to C<sub>980</sub>.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 10, doi. 10.1002/jcc.23894
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- Publication type:
- Article
Nucleus-independent chemical shift analysis of the electronic states of the ( CO)<sub>4</sub>, ( CS)<sub>4</sub>, and ( CSe)<sub>4</sub> molecules.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 46, doi. 10.1002/jcc.23962
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- Publication type:
- Article
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 49, doi. 10.1002/jcc.23963
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- Publication type:
- Article
Theoretical and experimental investigation of crown/ammonium complexes in solution.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 18, doi. 10.1002/jcc.23914
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- Publication type:
- Article
Inter- and intramolecular CF···co interactions on aliphatic and cyclohexane carbonyl derivatives.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 25, doi. 10.1002/jcc.23918
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- Publication type:
- Article
d-AO spherical aromaticity in Ce<sub>6</sub>O<sub>8</sub>.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 1, p. 103, doi. 10.1002/jcc.24049
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- Publication type:
- Article