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The Dalton quantum chemistry program system.
Wiley Interdiscip Rev Comput Mol Sci. 2014 May;4(3):269-284. doi: 10.1002/wcms.1172.
Wiley Interdiscip Rev Comput Mol Sci. 2014.
PMID: 25309629
Free PMC article.
Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods.
Cuesta IG, Marín JS, de Merás AS, Pawłowski F, Lazzeretti P.
Cuesta IG, et al. Among authors: de meras as.
Phys Chem Chem Phys. 2010 Jun 21;12(23):6163-70. doi: 10.1039/b925241j. Epub 2010 Apr 14.
Phys Chem Chem Phys. 2010.
PMID: 20390208
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Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene.
Cuesta IG, De Merás AS, Pelloni S, Lazzeretti P.
Cuesta IG, et al. Among authors: de meras as.
J Comput Chem. 2009 Mar;30(4):551-64. doi: 10.1002/jcc.21083.
J Comput Chem. 2009.
PMID: 18711723
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Diatropicity of tetraazanaphthalenes.
Cuesta IG, de Merás AS, Lazzeretti P.
Cuesta IG, et al. Among authors: de meras as.
J Comput Chem. 2006 Dec;27(16):1980-9. doi: 10.1002/jcc.20516.
J Comput Chem. 2006.
PMID: 17031898
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Low-lying Rydberg states of HCl.
Pitarch-Ruiz J, de Merás AS, Sánchez-Marín J, Velasco AM, Lavín C, Martín I.
Pitarch-Ruiz J, et al. Among authors: de meras as.
J Phys Chem A. 2008 Apr 10;112(14):3275-80. doi: 10.1021/jp711905c. Epub 2008 Feb 29.
J Phys Chem A. 2008.
PMID: 18307330
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