Kinetics for the hydrogen-abstraction of CH<sub>4</sub> with NO<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1870, doi. 10.1002/jcc.23020
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 23
Results: 9
1
2
Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1845, doi. 10.1002/jcc.23013
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- Publication type:
- Article
3
Comparative DFT study of N<sub>2</sub> and no adsorption on vanadium clusters V<sub> n</sub> ( n = 2-13).
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1854, doi. 10.1002/jcc.23017
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- Publication type:
- Article
4
Quantum chemical comparison of vertical, adiabatic, and 0-0 excitation energies: The PYP and GFP chromophores.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1892, doi. 10.1002/jcc.23027
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- Publication type:
- Article
5
Inside Cover, Volume 33, Issue 23.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. ii, doi. 10.1002/jcc.23078
- Publication type:
- Article
6
Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1902, doi. 10.1002/jcc.23022
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- Publication type:
- Article
7
Balancing target flexibility and target denaturation in computational fragment-based inhibitor discovery.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1880, doi. 10.1002/jcc.23026
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- Publication type:
- Article
8
Cover Image, Volume 33, Issue 23.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. i, doi. 10.1002/jcc.23077
- Publication type:
- Article
9
Quantum chemical insights into the aggregation induced emission phenomena: A QM/MM study for pyrazine derivatives.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 23, p. 1862, doi. 10.1002/jcc.23019
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- Publication type:
- Article