Browsing by Author Martin, Jan

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Issue DateTitleAuthor(s)Citation
2013Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with cautionGoerigk, Lars; Karton, Amir; Radom, Leo; Martin, Jan; Chemistry; Chemistry; ChemistryAccurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution, Physical Chemistry Chemical Physics, vol.15, 19, 2013,pp 7028-7031
2011Basis set convergence of explicitly correlated double-hybrid density functional theory calculationsKarton, Amir; Martin, Jan; ChemistryBasis set convergence of explicitly correlated double-hybrid density functional theory calculations, Journal of Chemical Physics, vol.135, article number: 144119, 2011,pp 144119-1-144119-7
2012Explicitly correlated Wn theory: W1-F12 and W2-F12Karton, Amir; Martin, Jan; ChemistryExplicitly correlated Wn theory: W1-F12 and W2-F12, Journal of Chemical Physics, vol.136, 12, 2012,pp 124114-1-124114-12
2011W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 dataKarton, Amir; Daon, Shauli; Martin, Jan; ChemistryW4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data, Chemical Physics Letters, vol.510, 4-6, 2011,pp 165-178