Publications of Yair Litman

Journal Article (7)

2020
Journal Article
Litman, Yair, Jörg Behler and Mariana Rossi: Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics.
Journal Article
Litman, Yair and Mariana Rossi: Multidimensional Hydrogen Tunneling in Supported Molecular Switches: The Role of Surface Interactions.
2019
Journal Article
Kapil, Venkat, Mariana Rossi, Ondrej Marsalek, Riccardo Petraglia, Yair Litman, Thomas Spura, Bingqing Cheng, Alice Cuzzocrea, Robert H. Meißner, David M. Wilkins, Benjamin A. Helfrecht, Przemysław Juda, Sébastien P. Bienvenue, Wei Fang, Jan Kessler, Igor Poltavsky, Steven Vandenbrande, Jelle Wieme, Clemence Corminboeuf, Thomas D. Kühne, David E. Manolopoulos, Thomas E. Markland, Jeremy O. Richardson, Alexandre Tkatchenko, Gareth A. Tribello, Veronique Van Speybroeck and Michele Ceriotti: i-PI 2.0: A universal force engine for advanced molecular simulations.
Journal Article
Litman, Yair, Jeremy O. Richardson, Takashi Kumagai and Mariana Rossi: Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene.
2018
Journal Article
Kumagai, Takashi, Janina Ladenthin, Yair Litman, Mariana Rossi, Leonhard Grill, Sylwester Gawinkowski, Jacek Waluk and Mats Persson: Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au.
Journal Article
Litman, Yair, Davide Donadio, Michele Ceriotti and Mariana Rossi: Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature.
Journal Article
Litman, Yair, Hernán B. Rodríguez, Silvia E. Braslavsky and Enrique San Román: Photophysics of Xanthene Dyes at High Concentrations in Solid Environments: Charge Transfer Assisted Triplet Formation.

Thesis - PhD (1)

2020
Thesis - PhD
Litman, Yair and Mariana Rossi: Tunneling and Zero-Point Energy Effects in Multidimensional Hydrogen Transfer Reactions: From Gas Phase to Adsorption on Metal Surfaces.
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