Weighted least square analysis method for free energy calculations.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2397, doi. 10.1002/jcc.25580
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2018 AND VI 39 AND IP 28
Results: 10
1
2
Modulating stability of functionalized fullerene cations [R‐C<sub>60</sub>]<sup>+</sup> with the nature of R‐group.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2385, doi. 10.1002/jcc.25579
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- Publication type:
- Article
3
Impact of non‐empirically tuning the range‐separation parameter of long‐range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2378, doi. 10.1002/jcc.25575
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- Publication type:
- Article
4
An improved methodology to compute surface site interaction points using high density molecular electrostatic potential surfaces.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2371, doi. 10.1002/jcc.25574
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- Publication type:
- Article
5
A new protein nucleic‐acid coarse‐grained force field based on the UNRES and NARES‐2P force fields.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2360, doi. 10.1002/jcc.25571
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- Publication type:
- Article
6
Rapid estimation of activation energy in heterogeneous catalytic reactions via machine learning.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2405, doi. 10.1002/jcc.25567
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- Publication type:
- Article
7
MDockPeP: An ab‐initio protein–peptide docking server.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2409, doi. 10.1002/jcc.25555
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- Publication type:
- Article
8
Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken‐Symmetry DFT and new CCSD(T) benchmarks.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2350, doi. 10.1002/jcc.25519
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- Publication type:
- Article
9
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. 2345, doi. 10.1002/jcc.25035
- Publication type:
- Article
10
Cover Image, Volume 39, Issue 28.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 28, p. C1, doi. 10.1002/jcc.25032
- Publication type:
- Article