Publications of Matti Ropo

Journal Article (6)

2016
Journal Article
M. Ropo, V. Blum and C. Baldauf: Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead. Scientific Reports 6, 35772 (2016).
Journal Article
M. Ropo, M. Schneider, C. Baldauf and V. Blum: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids. Scientific Data 3, 160009 (2016).
2015
Journal Article
A. Ihrig, J. Wieferink, I.Y. Zhang, M. Ropo, X. Ren, P. Rinke, M. Scheffler and V. Blum: Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory. New Journal of Physics 17 (9), 093020 (2015).
2013
Journal Article
H. Pitkänen, M. Alatalo, A. Puisto, M. Ropo, K. Kokko and L. Vitos: Ab initio study of the surface properties of austenitic stainless steel alloys. Surface Science 609, 190–194 (2013).
2011
Journal Article
M. Ropo, K. Kokko, E. Airiskallio, M.P.J. Punkkinen, S. Hogmark, J. Kollar, B. Johansson and L. Vitos: First-principles atomistic study of surfaces of Fe-rich Fe–Cr. Journal of Physics: Condensed Matter 23 (26), 265004 (2011).
2010
Journal Article
E. Airiskallio , E. Nurmi , M.H. Heinonen , I.J. Väyrynen , K. Kokko , M. Ropo, M.P.J. Punkkinen , H. Pitkänen , M. Alatalo , J. Kollár , B. Johansson and L. Vitos : High temperature oxidation of Fe-Al and Fe-Cr-Al alloys: The role of Cr as a chemically active element. Corrosion Science 52 (10), 3394–3404 (2010).

Conference Paper (1)

2014
Conference Paper
C. Baldauf, M. Ropo, V. Blum and M. Scheffler: How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides. In: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014). (Eds.): <span style="font-style: normal; font-weight: normal"><span class='author_name'>T.E. Simos</span></span> <span style="font-style: normal; font-weight: normal"><span class='author_name'>Z. Kalogiratou</span></span> and <span style="font-style: normal; font-weight: normal"><span class='author_name'>T. Monovasilis</span></span> (AIP Conference Proceedings). AIP Publishing, Melville, NY, 119–120 (2014).
Go to Editor View