Cover Image, Volume 113, Issue 8.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. i, doi. 10.1002/qua.24424
- Publication type:
- Article
Works matching IS 00207608 AND DT 2013 AND VI 113 AND IP 8
Results: 25
1
2
Computational thermochemistry of glycolaldehyde.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1147, doi. 10.1002/qua.24200
- By:
- Publication type:
- Article
3
Exploring the conformation, charge density distribution and the electrostatic properties of galanthamine molecule in the active site of AChE using DFT and AIM theory.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1200, doi. 10.1002/qua.24251
- By:
- Publication type:
- Article
4
Theoretical study of gas phase reactions of important SOA intermediates: ( cis- and trans-) BEPOX and β-IEPOX with OH radical.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1162, doi. 10.1002/qua.24226
- By:
- Publication type:
- Article
5
Density functional theory study on the interaction between metalloporphyrins and NH<sub>3</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1137, doi. 10.1002/qua.24192
- By:
- Publication type:
- Article
6
Comment on 'Statistical physics of a mesoscopic fermion system inside a rectangular box' by Radu Lungu.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1243, doi. 10.1002/qua.24382
- By:
- Publication type:
- Article
7
The calculation of vibrational energy levels of polyatomic molecules including anharmonic effect using contact transformation perturbation method.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1180, doi. 10.1002/qua.24232
- By:
- Publication type:
- Article
8
Glucose interaction with Au, Ag, and Cu clusters: Theoretical investigation.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1062, doi. 10.1002/qua.24122
- By:
- Publication type:
- Article
9
Local HSAB rationalization of diels-alder reactions by means of ab initio and ABEEMσπ methods: Stereoselectivity and reaction rate.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1116, doi. 10.1002/qua.24173
- By:
- Publication type:
- Article
10
Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1095, doi. 10.1002/qua.24166
- By:
- Publication type:
- Article
11
Reply on 'comment on 'statistical physics of a mesoscopic fermion system inside a rectangular box''.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1244, doi. 10.1002/qua.24381
- By:
- Publication type:
- Article
12
Interaction mechanisms between poly(amido-amine) and nano-silicon dioxide.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1213, doi. 10.1002/qua.24260
- By:
- Publication type:
- Article
13
A theoretical analysis of substituted aromatic compounds.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1171, doi. 10.1002/qua.24231
- By:
- Publication type:
- Article
14
Some formal properties of ensemble density functionals.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1076, doi. 10.1002/qua.24150
- By:
- Publication type:
- Article
15
Quantum chemical investigation on the reaction mechanism of tertiary phosphines with unsaturated carboxylic acids: An insight into kinetic data.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1086, doi. 10.1002/qua.24161
- By:
- Publication type:
- Article
16
Atmospheric degradation mechanisms of a simulant organophosphorus pesticide isopropyl methyl methylphosphonate: A theoretical consideration.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1128, doi. 10.1002/qua.24182
- By:
- Publication type:
- Article
17
Structure and energetics of cyclopropane carboxaldehyde.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1155, doi. 10.1002/qua.24201
- By:
- Publication type:
- Article
18
The number of spanning trees in an ( r, s)-semiregular graph and its line graph.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1209, doi. 10.1002/qua.24252
- By:
- Publication type:
- Article
19
Theoretical study on the deglycosylation mechanism of rice BGlu1 β-glucosidase.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1071, doi. 10.1002/qua.24131
- By:
- Publication type:
- Article
20
A novel azocompound, 2-(4-phenylazoaniline)-4-phenylphenol: Spectroscopic and quantum-chemical approach.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1107, doi. 10.1002/qua.24171
- By:
- Publication type:
- Article
21
Inside Cover, Volume 113, Issue 8.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. iii, doi. 10.1002/qua.24425
- Publication type:
- Article
22
Distinguishing yy-G tautomers by their spectroscopic signatures: A theoretical investigation.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1225, doi. 10.1002/qua.24267
- By:
- Publication type:
- Article
23
Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1049, doi. 10.1002/qua.24209
- By:
- Publication type:
- Article
24
Maximum carbonyl-coordination number of scandium Computational study of Sc(CO)<sub> n</sub> ( n = 1-7), Sc(CO)<sub>7</sub><sup>−</sup> and Sc(CO)<sub>6</sub><sup>3−</sup>.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1192, doi. 10.1002/qua.24249
- By:
- Publication type:
- Article
25
Statistical physics of a mesoscopic fermion system inside a rectangular box.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 8, p. 1234, doi. 10.1002/qua.24128
- By:
- Publication type:
- Article