Cover Image, Volume 119, Issue 1.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25840
- Publication type:
- Article
Works matching IS 00207608 AND DT 2019 AND VI 119 AND IP 1
Results: 22
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Cover Image, Volume 119, Issue 1.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25842
- Publication type:
- Article
3
Cover Image, Volume 119, Issue 1.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25840
- Publication type:
- Article
4
Cover Image, Volume 119, Issue 1.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25840
- Publication type:
- Article
5
Coding solvation: challenges and opportunities.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25839
- By:
- Publication type:
- Article
6
X‐ray absorption signatures of hydrogen‐bond structure in water–alcohol solutions.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25802
- By:
- Publication type:
- Article
7
Modeling the absorption lineshape of embedded systems from molecular dynamics: A tutorial review.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25726
- By:
- Publication type:
- Article
8
Ab initio simulations of liquid electrolytes for energy conversion and storage.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25795
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- Publication type:
- Article
9
Solvation thermodynamics of neutral and charged solutes using the solvation‐layer interface condition continuum dielectric model.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25771
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- Publication type:
- Article
10
Exploiting graphical processing units to enable quantum chemistry calculation of large solvated molecules with conductor‐like polarizable continuum models.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25760
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- Publication type:
- Article
11
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25730
- Publication type:
- Article
12
Charged‐cell periodic DFT simulations via an impurity model based on density embedding: Application to the ionization potential of liquid water.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25801
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- Publication type:
- Article
13
Continuum embeddings in condensed‐matter simulations.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25725
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- Publication type:
- Article
14
Modeling absorption spectra of molecules in solution.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25719
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- Publication type:
- Article
15
Response properties of embedded molecules through the polarizable embedding model.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25717
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- Publication type:
- Article
16
On the description of the environment polarization response to electronic transitions.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25711
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- Publication type:
- Article
17
Coupled cluster theory with the polarizable continuum model of solvation.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25710
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- Publication type:
- Article
18
Parametric representation of molecular surfaces.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25695
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- Publication type:
- Article
19
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25688
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- Publication type:
- Article
20
PCMSolver: An open‐source library for solvation modeling.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25685
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- Publication type:
- Article
21
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25684
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- Publication type:
- Article
22
How to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor‐like screening model.
- Published in:
- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25669
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- Publication type:
- Article