Found: 9
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A toolchain for the automatic generation of computer codes for correlated wavefunction calculations.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1853, doi. 10.1002/jcc.24833
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- Article
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1869, doi. 10.1002/jcc.24835
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- Article
Update of the ATTRACT force field for the prediction of protein-protein binding affinity.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1887, doi. 10.1002/jcc.24836
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- Article
Cover Image, Volume 38, Issue 21.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. i, doi. 10.1002/jcc.24872
- Publication type:
- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1819, doi. 10.1002/jcc.24636
- Publication type:
- Article
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1834, doi. 10.1002/jcc.24827
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- Publication type:
- Article
Assessing the role of Hartree- Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1844, doi. 10.1002/jcc.24828
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- Article
CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1879, doi. 10.1002/jcc.24829
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- Publication type:
- Article
Regularized regression analysis of digitized molecular structures in organic reactions for quantification of steric effects.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1825, doi. 10.1002/jcc.24791
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- Publication type:
- Article