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- Analysis of intermolecular interactions of n-perfluoroalkanes with circumcoronene using dispersion-corrected DFT calculations: comparison with those of n-alkanes. Yoshihiro Kikkawa, Seiji Tsuzuki
, Phys. Chem. Chem. Phys.
, 2023
, 25
, 11331
- Coronene: a model for ultrafast dynamics in graphene nanoflakes and PAHs. Alberto Martín Santa Daría, Lola González-Sánchez, Sandra Gómez
, Phys. Chem. Chem. Phys.
, 2024
, 26
, 174
- A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures. Tim S. Totton, Alston J. Misquitta, Markus Kraft
, Phys. Chem. Chem. Phys.
, 2012
, 14
, 4081
- Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons. Luiz Fernando L. Oliveira, Jérôme Cuny, Maxime Morinière, Léo Dontot, Aude Simon, Fernand Spiegelman, Mathias Rapacioli
, Phys. Chem. Chem. Phys.
, 2015
, 17
, 17079
- Curvature and size effects hinder halogen bonds with extended π systems. Enrique M. Cabaleiro-Lago, Jesús Rodríguez-Otero
, Phys. Chem. Chem. Phys.
, 2020
, 22
, 21988
- Coarse-grained modeling of the nucleation of polycyclic aromatic hydrocarbons into soot precursors. J. Hernández-Rojas, F. Calvo
, Phys. Chem. Chem. Phys.
, 2019
, 21
, 5123
- Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks. J. Vekeman, I. G. Cuesta, N. Faginas-Lago, J. Wilson, J. Sánchez-Marín, A. Sánchez de Merás
, Phys. Chem. Chem. Phys.
, 2018
, 20
, 25518
- Electric quadrupole moment of graphene and its effect on intermolecular interactions. Mikuláš Kocman, Martin Pykal, Petr Jurečka
, Phys. Chem. Chem. Phys.
, 2014
, 16
, 3144
- Coarse-graining the structure of polycyclic aromatic hydrocarbons clusters. J. Hernández-Rojas, F. Calvo, D. J. Wales
, Phys. Chem. Chem. Phys.
, 2016
, 18
, 13736
- Excited-state singlet–triplet inversion in hexagonal aromatic and heteroaromatic compounds. Andrzej L. Sobolewski, Wolfgang Domcke
, Phys. Chem. Chem. Phys.
, 2023
, 25
, 21875