Publications

Fast filter by year:

More filters

Results: 77

O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk
γ-graphyne: A promising electron acceptor for organic photovoltaics
Materials & Design, 2023, 225, 111526-
DOI: 10.1016/j.matdes.2022.111526
Keywords: Electron and energy transfer, Excited states, Supramolecular chemistry

G. George, O. A. Stasyuk, A. A. Voityuk, A. J. Stasyuk, M. Solà
Aromaticity controls the excited-state properties of host–guest complexes of nanohoops
Nanoscale, 2023, 15, 1221-1229
DOI: 10.1039/D2NR04037A
Keywords: Aromaticity, Electron and energy transfer, Excited states, Fullerenes, Supramolecular chemistry

Gibu George, Olga A. Stasyuk, Miquel Solà, Anton J. Stasyuk
A step towards rational design of carbon nanobelts with tunable electronic properties
Nanoscale, 2023, [], ASAP-
DOI: 10.1039/D3NR04045C
Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry

Abhishek Kumar, Preeti Karmakar, Rudraditya Sarkar, TammineniRajagopala Rao
Photodetachment band of the fluorenyl anion: a theoretical rationalization
Phys. Chem. Chem. Phys., 2023, 25, 20668-20679
DOI: 10.1039/D3CP01031G
Keywords: Computational chemistry, Excited states, Method development, Spectroscopy

Sebastian P. Sitkiewicz, Eduard Matito, Josep M. Luis, Robert Zaleśny
Pitfall in simulations of vibronic TD-DFT spectra: diagnosis and assessment
Phys. Chem. Chem. Phys., 2023, 25, 30193-30197
DOI: 10.1039/D3CP04276F
Keywords: Computational chemistry, Excited states, Method development, Spectroscopy

Miquel Solà
Projecte Articles Mirall. Les regles de l’aromaticitat
Revista de la Societat Catalana de Química, 2023, 22, 92-100
DOI: 10.2436/20.2003.01.149
Keywords: Aromaticity, Chemical bonding, Excited states

Simon Zank, JesúsManuel Fernández-García, Anton Stasyuk, Alexander Voityuk, Marcel Krug, Miquel Solà, Dirk Guldi, Nazario Martin
Initiating Electron Transfer in Doubly‐curved Nanographene Upon Supramolecular Complexation of C60
Angew. Chem. Int. Ed., 2022, 61, 1433-7851
DOI: 10.1002/anie.202112834
Keywords: Chemical bonding, Electron and energy transfer, Fullerenes, Supramolecular chemistry, Excited states

Daniel Bosch, Jun Wang, Lluís Blancafort
Fingerprint-based deep neural networks can model thermodynamic and optical properties of eumelanin DHI dimers
Chem. Sci., 2022, 13, 8942-8946
DOI: 10.1039/D2SC02461F
Keywords: Computational chemistry, Density Functional Theory, Excited states, Machine learning, Melanin

Kamila Pruszkowska, Olga A. Stasyuk, Anna Zep, Adam Krówczyński, Rafal R. Sicinski, Miquel Solà, Michał K. Cyrański
Effect of Diamine Bridge on Reactivity of Tetradentate ONNO Nickel(II) Complexes
ChemPhysChem, 2022, 23, e202100741
DOI: 10.1002/cphc.202100741
Keywords: Catalysis, Chemical bonding, Organometallics, Reaction mechanisms, Excited states

Edinson Medina, Christian Sandoval-Pauker, Pedro Salvador, Balazs Pinter
Mechanistic Insights into the Oxidative and Reductive Quenching Cycles of Transition Metal Photoredox Catalysts through Effective Oxidation State Analysis
Inorg. Chem., 2022, 61, 18923-18933
DOI: 10.1021/acs.inorgchem.2c02945
Keywords: Chemical bonding, Excited states, Real-space analysis

NextPrevious

1 2 3 4 5 6 7 8


  

Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):