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Garcia-Ratés, Miquel
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Garcia-Ratés, Miquel
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Efficient implementation of the analytical second derivatives of hartree–fock and hybrid DFT energies within the framework of the conductor‐like polarizable continuum model
by
Garcia
‐
Ratés
,
Miquel
,
Neese, Frank
Published in
Journal of Computational Chemistry
(2019)
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2
Implicit solvation in domain based pair natural orbital coupled cluster ( DLPNO‐CCSD) theory
by
Garcia
‐
Ratés
,
Miquel
,
Becker, Ute
,
Neese, Frank
Published in
Journal of Computational Chemistry
(2021)
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3
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS ...
by
Müller, Simon
,
Nevolianis, Thomas
,
Garcia
-
Ratés
,
Miquel
,
Riplinger, Christoph
,
Leonhard, Kai
,
Smirnova, Irina
Published 2024
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Related Subjects
Chemical Physics physics.chem-ph
Computational Physics physics.comp-ph
FOS Physical sciences
Soft Condensed Matter cond-mat.soft
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