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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.1c08581
OpenAccess: –
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.202106289
OpenAccess: –
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/D1DT02034J
OpenAccess: –
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.1c00063
OpenAccess: Link
Keywords: 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.1c00239
OpenAccess: Link
Keywords: 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.13347
OpenAccess: –
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.201908573
OpenAccess: –
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.2020.120215
OpenAccess: Link
Keywords: 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/c9cc08399e
OpenAccess: –
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.26213
OpenAccess: Link
Keywords: Ab initio theory, Computational chemistry, Density Functional Theory, Excited state, Photochemistry

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