Damián A. Scherlis
- Water Self-Dissociation is Insensitive to Nanoscale Environments
2021/04/26 by Solana Di Pino, Yamila A. Perez Sirkin, Di Pino, Solana +9 · 3 citations
Physics and Astronomy · Chemistry · Engineering · #Spectroscopy and Quantum Chemical Studies #Electrostatics and Colloid Interactions #Nanopore and Nanochannel Transport Studies
- Simulation of Heme using DFT+U: a step toward accurate spin-state\n energetics
2007/05/18 by Damián A. Scherlis, Matteo Cococcioni, Scherlis, Damian A. +5 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · #FOS: Physical sciences #Hemoglobin structure and function #Magnetism in coordination complexes #Porphyrin and Phthalocyanine Chemistry #Soft Condensed Matter (cond-mat.soft)