| Diffusion in binary gas mixtures studied by NMR of hyperpolarized gases and molecular dynamics simulations RH Acosta, L Agulles-Pedrós, S Komin, D Sebastiani, HW Spiess, ... Physical Chemistry Chemical Physics 8 (36), 4182-4188, 2006 | 60 | 2006 |
| NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations S Komin, C Gossens, I Tavernelli, U Rothlisberger, D Sebastiani The Journal of Physical Chemistry B 111 (19), 5225-5232, 2007 | 43 | 2007 |
| Optimization of capping potentials for spectroscopic parameters in hybrid quantum mechanical/mechanical modeling calculations S Komin, D Sebastiani Journal of Chemical Theory and Computation 5 (6), 1490-1498, 2009 | 22 | 2009 |
| Density-functional study of hydrazine doped single-walled carbon nanotubes as an n-type semiconductor W Prachamon, S Limpijumnong, S Komin Physica E: Low-dimensional Systems and Nanostructures 124, 114306, 2020 | 2 | 2020 |
| Optical transitions of native defects in single-walled carbon nanotubes: Time-dependent density functional theory study W Prachamon, S Limpijumnong, S Komin Integrated Ferroelectrics 187 (1), 1-13, 2018 | 2 | 2018 |
| Theoretical study of ethanol interaction with pristine and P-doped single-walled carbon nanotubes P Boontueng, S Komin Materials Today: Proceedings 5 (5), 11043-11050, 2018 | 1 | 2018 |
| Topology of boron substitutional defects in single-walled carbon nanotubes: A first-principles study W Prachamon, O Jaiboon, S Komin, C Ruttanapun, S Limpijumnong Carbon Trends 15, 100337, 2024 | | 2024 |
| Diffusion in binary gas mixtures studied by NMR of hyperpolarized gases and molecular dynamics simulations RH Acosta, L Agulles-Pedros, S Komin, D Sebastiani, HW Spiess, ... PCCP. Physical chemistry chemical physics 15 (48), 21102-21103, 2013 | | 2013 |
| Spectroscopic Properties from Hybrid QM/MM Molecular Dynamics Simulation S Komin Johannes Gutenberg Universität Mainz, 2009 | | 2009 |
| Solvent effect in NMR spectra of nucleic bases from hybrid QM-MM simulations S Komin, D Sebastiani Verhandlungen der Deutschen Physikalischen Gesellschaft 41, 2006 | | 2006 |
| Topology of Boron Substitutional Defects in Single-Walled Carbon Nanotubes: A First-Principles Study O Jaiboon, S Komin, C Ruttanapun, S Limpijumnong | | |
