Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)n clusters
Author:
Affiliation:
1. Department of Chemistry and Physics, Arcadia University, Glenside, Pennsylvania 19038-3295, USA
2. Dipartimento di Scienza ed Alta Tecnologia, Università degli Studi dell’Insubria, Via Valleggio 11, 22100 Como, Italy
Funder
Fondo Ateneo per la Richerca
ACS | American Chemical Society Petroleum Research Fund
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5000372
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4. Synthesis of Diiron Hydrogenase Mimics Bearing Hydroquinone and Related Ligands. Electrochemical and Computational Studies of the Mechanism of Hydrogen Production and the Role of O−H···S Hydrogen Bonding
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