DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 2020 | 845 | 2020 |
A π-conjugated system with flexibility and rigidity that shows environment-dependent RGB luminescence C Yuan, S Saito, C Camacho, S Irle, I Hisaki, S Yamaguchi Journal of the American Chemical Society 135 (24), 8842-8845, 2013 | 197 | 2013 |
Light-melt adhesive based on dynamic carbon frameworks in a columnar liquid-crystal phase S Saito, S Nobusue, E Tsuzaka, C Yuan, C Mori, M Hara, T Seki, ... Nature communications 7 (1), 12094, 2016 | 133 | 2016 |
Hybridization of a flexible cyclooctatetraene core and rigid aceneimide wings for multiluminescent flapping π systems C Yuan, S Saito, C Camacho, T Kowalczyk, S Irle, S Yamaguchi Chemistry–A European Journal 20 (8), 2193-2200, 2014 | 103 | 2014 |
Dimerization-initiated preferential formation of coronene-based graphene nanoribbons in carbon nanotubes M Fujihara, Y Miyata, R Kitaura, Y Nishimura, C Camacho, S Irle, Y Iizumi, ... The Journal of Physical Chemistry C 116 (28), 15141-15145, 2012 | 100 | 2012 |
Infrared absorption of methanol clusters (CH3OH) n with n= 2− 6 recorded with a time-of-flight mass spectrometer using infrared depletion and vacuum-ultraviolet ionization HL Han, C Camacho, HA Witek, YP Lee The Journal of chemical physics 134 (14), 2011 | 90 | 2011 |
Origin of the size-dependent fluorescence blueshift in [n] cycloparaphenylenes C Camacho, TA Niehaus, K Itami, S Irle Chemical Science 4 (1), 187-195, 2013 | 87 | 2013 |
Constraint-induced structural deformation of planarized triphenylboranes in the excited state T Kushida, C Camacho, A Shuto, S Irle, M Muramatsu, T Katayama, S Ito, ... Chemical Science 5 (4), 1296-1304, 2014 | 56 | 2014 |
Intruder states in multireference perturbation theory: The ground state of manganese dimer C Camacho, HA Witek, S Yamamoto Journal of computational chemistry 30 (3), 468-478, 2009 | 56 | 2009 |
Multireference perturbation theory can predict a false ground state C Camacho, R Cimiraglia, HA Witek Physical Chemistry Chemical Physics 12 (19), 5058-5060, 2010 | 45 | 2010 |
Quantum Dynamics Simulations Reveal Vibronic Effects on the Optical Properties of [n]Cycloparaphenylenes VS Reddy, C Camacho, J Xia, R Jasti, S Irle Journal of Chemical Theory and Computation 10 (9), 4025-4036, 2014 | 38 | 2014 |
The low-lying states of the scandium dimer C Camacho, HA Witek, R Cimiraglia The Journal of chemical physics 132 (24), 2010 | 36 | 2010 |
Formation and identification of interstellar molecule linear C5H from photolysis of methane dispersed in solid neon YJ Wu, HF Chen, C Camacho, HA Witek, SC Hsu, MY Lin, SL Chou, ... The Astrophysical Journal 701 (1), 8, 2009 | 36 | 2009 |
Choosing a proper complete active space in calculations for transition metal dimers: ground state of Mn 2 revisited C Camacho, S Yamamoto, HA Witek Physical Chemistry Chemical Physics 10 (33), 5128-5134, 2008 | 34 | 2008 |
Photochemical Double 5-exo Cyclization of Alkenyl-Substituted Dithienylacetylenes: Efficient Synthesis of Diarylated Dithienofulvalenes. A Fukazawa, T Karasawa, H Zhang, K Minemura, C Camacho, J Wang, ... Angewandte Chemie International Edition 52 (40), 2013 | 17 | 2013 |
Starphenes and phenes: Structures and properties EC Rüdiger, M Müller, J Freudenberg, UHF Bunz Organic Materials 1 (01), 001-018, 2019 | 13 | 2019 |
Thieme Chemistry Journals Awardees–Where Are They Now? Aromaticity as a Source for Strain Energy? Synthesis of Curved Polycyclic Aromatic Structures via [2+ 2+ 2] Cycloaddition … S Beeck, HA Wegner Synlett 28 (09), 1018-1027, 2017 | 11 | 2017 |
Theoretical Prediction and Analysis of the UV/Visible Absorption and Emission Spectra of Chiral Carbon Nanorings R Daengngern, C Camacho, N Kungwan, S Irle The Journal of Physical Chemistry A 122 (37), 7284-7292, 2018 | 10 | 2018 |
Accelerating the density-functional tight-binding method using graphical processing units VQ Vuong, C Cevallos, B Hourahine, B Aradi, J Jakowski, S Irle, ... The Journal of Chemical Physics 158 (8), 2023 | 7 | 2023 |
Dopant-free hole-transport materials with germanium compounds bearing pseudohalide and chalcogenide moieties for perovskite solar cells T Soto-Montero, N Flores-Díaz, D Molina, A Soto-Navarro, ... Inorganic chemistry 59 (20), 15154-15166, 2020 | 6 | 2020 |