Publications of Mariana Rossi

Talk (44)

81.
82.
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Poster (1)

86.
Poster

Thesis - PhD (2)

87.
Thesis - PhD
Litman, Y. and M. Rossi: Tunneling and Zero-Point Energy Effects in Multidimensional Hydrogen Transfer Reactions: From Gas Phase to Adsorption on Metal Surfaces. Freie Universität Berlin
88.
Thesis - PhD
Rossi, M.: Ab initio study of alanine-based polypeptide secondary-structure motifs in the gas phase. Technische Universität Berlin

Working Paper (2)

89.
Working Paper
Carbogno, C., N. Rybin, S. Panahian Jand, A. Akkoush, Z. Yuan, M. Rossi and C.M. Acosta: Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach., in press.
90.
Working Paper
Akkoush, A., Y. Litman and M. Rossi: A Hybrid-DFT Study of Intrinsic Point Defects in MX2 (M=Mo, W; X=S, Se) Monolayers., in press.

Issue (1)

91.
Issue
König, C., V. Krewald, M. Roemelt and M. Rossi (Eds.): Special Issue: Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL. International Journal of Quantum Chemistry 121 (3), (2021).

Editorial (1)

92.
Editorial
König, C., V. Krewald, M. Roemelt and M. Rossi: Germany’s Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL. International Journal of Quantum Chemistry 121 (3), e26587 (2021).
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