Results: 30
Ivan Djordjevic, Gautama Wicaksono, Ivan Šolić, Juhi Singh, TanviSushil Kaku, Sierin Lim, ElwinWeiJian Ang, Lluís Blancafort, Terry W.J. Steele
Rapid Activation of Diazirine Biomaterials with the Blue Light Photocatalyst
ACS Appl. Mater. Interfaces, 2021, 13, 36839-36848
DOI: 10.1021/acsami.1c08581OpenAccess: –Keywords: Computational chemistry, Excited states, Photochemistry
Lluís Blancafort, Jun Wang
Stability and optical absorption of a comprehensive virtual library of minimal eumelanin oligomer models
Angew. Chem. Int. Ed., 2021, 60, 18800-18809
DOI: 10.1002/anie.202106289OpenAccess: –Keywords: Computational chemistry, Density Functional Theory, Excited states, Photochemistry, Spectroscopy
Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander Voityuk
Photoinduced electron transfer in non-covalent complexes of C60 and phosphangulene oxide derivatives
Dalton Trans., 2021, 50, 16214-16222
DOI: 10.1039/D1DT02034JOpenAccess: –Keywords: Electron and energy transfer, Fullerenes, Photovoltaic materials, Photochemistry, Supramolecular chemistry
Jun Wang, Baswanth Oruganti, Bo Durbeej
Computational Comparison of Chemical and Isotopic Approaches to Control the Photoisomerization Dynamics of Light-Driven Molecular Motors
J. Org. Chem., 2021, 86, 5552-5559
DOI: 10.1021/acs.joc.1c00063OpenAccess: LinkKeywords: Ab initio theory, Computational chemistry, Excited states, Photochemistry, Reaction mechanisms
Korinne Liosi, Anton J. Stasyuk, Fabio Masero, Alexander A. Voityuk, Thomas Nauser, Victor Mougel, Miquel Solà, Yoko Yamakoshi
Unexpected Disparity in Photoinduced Reactions of C60 and C70 in Water with the Generation of O2 •– or1 O2
JACS Au, 2021, 10, 1601-1611
DOI: 10.1021/jacsau.1c00239OpenAccess: LinkKeywords: Electron and energy transfer, Excited states, Fullerenes, Photochemistry, Reaction mechanisms
Germano Giuliani, Assunta Merolla, Marco Paolino, Annalisa Reale, Mario Saletti, Lluís Blancafort, Andrea Cappelli, Fabio Benfenati, Fabrizia Cesca
Stability Studies of New Cagedbis ‐deoxy‐coelenterazine Derivatives and Their Potential Use as Cellular pH Probes
Photochem Photobiol, 2021, 97, 343-352
DOI: 10.1111/php.13347OpenAccess: –Keywords: Excited states, Photochemistry
Lucia Viglianti, Ni Xie, Herman H. Y. Sung, Alexander A. Voityuk, Nelson L. C. Leung, Yujie Tu, Clara Baldoli, Ian D. Williams, Ryan T. K. Kwok, Jacky W. Y. Lam, Emanuela Licandro, Lluís Blancafort, Ben Zhong Tang
Unusual Through‐Space Interactions between Oxygen Atoms Mediate Inverse Morphochromism of an AIE Luminogen
Angew. Chem. Int. Ed., 2020, 59, 8552-8559
DOI: 10.1002/anie.201908573OpenAccess: –Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Real-space analysis
Ivan Djordjevic, Oleksandr Pokholenko, AnkurHarish Shah, Gautama Wicaksono, Lluís Blancafort, John V. Hanna, SamuelJ. Page, Himansu Sekhar Nanda, CheeBing Ong, SzeRyn Chung, Andrew YuanHui Chin, Duncan McGrouther, Muntasir Mannan Choudhury, Fang Li, Jonathan Shunming Teo, Lui Shiong Lee, Terry W.J. Steele
CaproGlu: Multifunctional tissue adhesive platform
Biomaterials, 2020, 260, 120215-
DOI: 10.1016/j.biomaterials.2020.120215OpenAccess: LinkKeywords: Excited states, Photochemistry
Anton J. Stasyuk, Olga A. Stasyuk, Miquel Solà, Alexander A. Voityuk
Cyclo[18]carbon: the smallest all-carbon electron acceptor
Chem. Commun., 2020, 56, 352-355
DOI: 10.1039/c9cc08399eOpenAccess: –Keywords: Density Functional Theory, Electron and energy transfer, Electron delocalization, Excited states, Photochemistry
Jun Wang, Bo Durbeej
How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?
J Comput Chem, 2020, 41, 1718-1729
DOI: 10.1002/jcc.26213OpenAccess: LinkKeywords: Ab initio theory, Computational chemistry, Density Functional Theory, Excited state, Photochemistry