“Separation of 3He/4He isotopes by Nanoporous Graphene” M. Bartolomei, M. I. Hernández, C. Moreno, A. Mugarza, J . Campos-Martínez. Graphene layers with carefully tailored
Results
Review Ions Helium Nanodroplets
We review the solvation of atomic, molecular or cluster ions in HNDs. After briefly discussing the properties of snowballs in bulk helium we consider
Cooperative mechanism proton permeation of graphene
M. Bartolomei, M. I. Hernández, J. Campos-Martínez, R. Hernández-Lamoneda Carbon 144 (2019) 724-730 Graphene multi-protonation: A cooperative mechanism for proton permeation The interaction between
lithium ions solvated in helium
M. Rastogi et al. Phys. Chem. Chem. Phys., 2018,20, 25569-2557. We report on a combined experimental and theoretical study of Li+ ions solvated
Noncovalent interactions between cisplatin and graphene prototypes
“Noncovalent interactions between cisplatin and graphene prototypes” Ma del Refugio Cuevas-Flores, Marco Antonio Garcia-Revilla and Massimiliano Bartolomei Journal of Computational Chemistry, 39, 71-80 (2018)
Quantum transport of atoms through nanoporous membranes
Wave Packet Calculations of the Quantum Transport of Atoms through Nanoporous Membranes J. Phys. Chem. C, 2017, 121 (36), pp 19751–19757 DOI: 10.1021/acs.jpcc.7b04298
Separation of He isotopes by graphdiyne nanopores.
Helium Isotope Separation by graphyne’s nanopores Journal of Physical Chemistry A 119 (43), 10743–10749 (2015) DOI: 10.1021/acs.jpca.5b08485 Transmission of Helium Isotopes through
Accurate rate coefficients for He-H2O Inelastic Collisions.
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H2O filtering through graphdiyne nanopores.
First principles predictions and force field optimization for water filetering through graphyne pores. Journal of Physical Chemistry Letters, 5 (2014) 751-755. ACS LiveSlides AVAILABLE
Spin structure of (O2)4 and implications for the ε-O2 Phase.
Chemical Interactions and Spin Structure in (O2)4: Implications for the ε-O2 Phase J. Chem. Theory and Computation The chemical interactions and spin structure of