Effects of zero point vibration on the reaction dynamics of water dimer cations following ionization.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1503, doi. 10.1002/jcc.24783
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 17
Results: 10
1
2
Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1509, doi. 10.1002/jcc.24788
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- Publication type:
- Article
3
libKEDF: An accelerated library of kinetic energy density functionals.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1552, doi. 10.1002/jcc.24806
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- Publication type:
- Article
4
An open-source framework for analyzing N-electron dynamics. I. Multideterminantal wave functions.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1515, doi. 10.1002/jcc.24792
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- Publication type:
- Article
5
Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1495, doi. 10.1002/jcc.24793
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- Publication type:
- Article
6
Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1528, doi. 10.1002/jcc.24794
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- Publication type:
- Article
7
Fast and accurate grid representations for atom-based docking with partner flexibility.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1538, doi. 10.1002/jcc.24795
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- Publication type:
- Article
8
On reverse Monte Carlo constraints and model reproduction.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1547, doi. 10.1002/jcc.24799
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- Publication type:
- Article
9
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. 1489, doi. 10.1002/jcc.24628
- Publication type:
- Article
10
Cover Image, Volume 38, Issue 17.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 17, p. i, doi. 10.1002/jcc.24834
- Publication type:
- Article