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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.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 1, p. N.PAG, doi. 10.1002/qua.25669
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- Article
Cover Image.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 1, doi. 10.1002/jcc.26543
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- Article
Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionals.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 970, doi. 10.1002/jcc.26517
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- Article
Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states.
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- Journal of Computational Chemistry, 2020, v. 41, n. 13, p. 1242, doi. 10.1002/jcc.26170
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- Article
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
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- Journal of Computational Chemistry, 2018, v. 39, n. 12, p. 735, doi. 10.1002/jcc.25144
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- Article
Charge Transfer Excitations in TDDFT: A Ghost-Hunter Index.
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- Journal of Computational Chemistry, 2017, v. 38, n. 25, p. 2151, doi. 10.1002/jcc.24862
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- Article
Achieving linear-scaling computational cost for the polarizable continuum model of solvation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 111, n. 2-6, p. 90, doi. 10.1007/s00214-003-0527-2
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- Article
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.
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- Journal of Computational Chemistry, 2003, v. 24, n. 6, p. 669
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- Article
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.
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- Journal of Computational Chemistry, 2002, v. 23, n. 3, p. 341, doi. 10.1002/jcc.10015
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- Article