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
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 1
Results: 26
1
2
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
- By:
- Publication type:
- Article
3
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
- By:
- Publication type:
- Article
4
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
- By:
- Publication type:
- Article
5
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
- By:
- Publication type:
- Article
6
Table of Contents, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
7
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
- By:
- Publication type:
- Article
8
Coming Soon, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
9
Paul Von Ragué Schleyer (1930-2014).
- Published in:
- 2016
- Publication type:
- Editorial
10
Editorial Board, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
11
Copyright, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
12
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
- By:
- Publication type:
- Article
13
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
- By:
- Publication type:
- Article
14
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
- By:
- Publication type:
- Article
15
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
- By:
- Publication type:
- Article
16
Cover Image, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
17
Cover Image, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
18
Cover Image, Volume 37, Issue 1.
- Published in:
- 2016
- Publication type:
- Other
19
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
20
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
- By:
- Publication type:
- Article
21
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
- By:
- Publication type:
- Article
22
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
- By:
- Publication type:
- Article
23
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
- By:
- Publication type:
- Article
24
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
- By:
- Publication type:
- Article
25
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
- By:
- Publication type:
- Article
26
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
- By:
- Publication type:
- Article