Investigation of the Second Harmonic Generation at the Water–Vacuum Interface by Using Multi‐Scale Modeling Methods
Sign Up to like & getrecommendations! Published in 2022 at "ChemistryOpen"
DOI: 10.1002/open.202200045
Abstract: Abstract The Sequential Quantum Mechanics/Molecular Mechanics scheme has been enacted to perform a systematic investigation of the polarizability (α) and first hyperpolarizability (β) responses at the water–vacuum interface. After performing classical molecular dynamics simulations to… read more here.
Keywords: increase; water vacuum; water; vacuum interface ... See more keywords
Investigation of the Second Harmonic Generation at the Water-Vacuum Interface by Using Multi-Scale Modeling Methods.
Sign Up to like & getrecommendations! Published in 2023 at "ChemistryOpen"
DOI: 10.1002/open.202200248
Abstract: Invited for this month's cover picture are Dr. Tárcius N. Ramos and Prof. Benoît Champagne at the University of Namur (Belgium). The cover picture shows the interfacial selectivity of second harmonic generation at the water-vacuum… read more here.
Keywords: generation water; second harmonic; water vacuum; harmonic generation ... See more keywords