Editorial Board for section 'Theoretical and Computational Chemistry'
- Astrochemistry Section
- Catalysis Section
- Chemistry at the Nanoscale Section
- Chemistry of Materials Section
- Chemistry of Natural Products and Biomolecules Section
- Electrochemistry and Photoredox Processes Section
- Food Science Section
- Green and Environmental Chemistry Section
- Inorganic and Solid State Chemistry Section
- Medicinal Chemistry Section
- Molecular Organics Section
- Photochemistry and Excited States Section
- Physical Chemistry and Chemical Physics Section
- Radiochemistry Section
- Supramolecular Chemistry Section
- Theoretical and Computational Chemistry Section
Please see the section webpage for more information on this section.
Please note that the order in which the Editors appear on this page is alphabetical, and follows the structure of the editorial board presented on the MDPI website under information for editors: editorial board responsibilities.
Members
Department of Materials Engineering Science, Graduate School of Engineering Science, The University of Osaka, 1-3 Machikaneyama, Toyonaka 560-8531, Osaka, Japan
Interests: open-shell systems; optical responses; electronic excitations and relaxation dynamics; vibronic coupling; intermolecular interactions; organic π-conjugated systems; aromaticity and antiaromaticity; diradicals and multiradicals
* Section: Theoretical and Computational Chemistry
Special Issues, Collections and Topics in MDPI journals
Interests: open-shell systems; optical responses; electronic excitations and relaxation dynamics; vibronic coupling; intermolecular interactions; organic π-conjugated systems; aromaticity and antiaromaticity; diradicals and multiradicals
* Section: Theoretical and Computational Chemistry
Special Issues, Collections and Topics in MDPI journals
MOE Key Laboratory of Environmental Theoretical Chemistry, SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety, School of Environment, South China Normal University, Guangzhou 510006, China
Interests: linear scaling method; non-linear optical properties; degradation mechanism of environmental pollutants; electron correlation
Interests: linear scaling method; non-linear optical properties; degradation mechanism of environmental pollutants; electron correlation
State Key Laboratory of Chemical Resource Engineering, Institute of Computational Chemistry, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, China
Interests: DFT; catalyst design; homogeneous and heterogeneous catalysis; reaction mechanism; machine learning; small molecule activation
Interests: DFT; catalyst design; homogeneous and heterogeneous catalysis; reaction mechanism; machine learning; small molecule activation
Dipartimento di Chimica e Biologia Adolfo Zambelli, Università di Salerno, Via Giovanni Paolo II, I-84084 Fisciano, SA, Italy
Interests: quantum dynamics of elementary reactions; electron transfer; proton transfer; charge transport in organic semiconductors; molecular electronics; solar cells; Franck-Condon factors; radiationless transitions; open quantum systems
Special Issues, Collections and Topics in MDPI journals
Interests: quantum dynamics of elementary reactions; electron transfer; proton transfer; charge transport in organic semiconductors; molecular electronics; solar cells; Franck-Condon factors; radiationless transitions; open quantum systems
Special Issues, Collections and Topics in MDPI journals
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC, Consiglio Nazionale delle Ricerche, via C. Golgi 19, 20133 Milano, Italy
Interests: Density Functional Theory; post-SCF methods; chemical reactivity; catalysis
Special Issues, Collections and Topics in MDPI journals
Interests: Density Functional Theory; post-SCF methods; chemical reactivity; catalysis
Special Issues, Collections and Topics in MDPI journals
Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
Interests: non-classical bonding; metal-metal interactions; aromaticity; exploration of potential energy surface; chemistry of s-block elements
Interests: non-classical bonding; metal-metal interactions; aromaticity; exploration of potential energy surface; chemistry of s-block elements
