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Section Editors

Section Board for 'Physical Chemistry and Chemical Physics' (74)

Please see the section webpage for more information on this section.

Prof. Dr. Dongho Kim
Website
Section Editor-in-Chief
Department of Chemistry, Yonsei University, Seoul, Korea
Interests: physical chemistry; time- and space-resolved spectroscopy; ground and excited state aromaticity; energy and electron transfer; molecular aggregation; molecular symmetry; exciton localization and delocalization dynamics; excimer dynamics
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Paschalis Alexandridis
Website
Section Editor-in-Chief
Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York (SUNY), Buffalo, NY 14260-4200, USA
Interests: self-assembly; directed assembly; surfactants; block copolymers; polysaccharides; nanoparticles; water; ionic liquids; formulations; polymer dissolution
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Luciano Galantini
Website
Department of Chemistry, La Sapienza University of Rome, 00185 Rome, Italy
Interests: aggregation of Bile Salts and derivatives; protein unfolding and effects of specific ligands; host-guest supramolecular polymers; colloid system investigation techniques
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Christian M. Julien
Website
Institut de Minéralogie, Physique des Matériaux et Cosmologie (IMPMC), Sorbonne Université, Paris, France
Interests: energy storage and conversion; solid state ionics; nanomaterials; nanoionics; lithium batteries; energy materials; insertion reactions; vibrational spectrocopy
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Mihai V. Putz
Website
1. Laboratory of Structural and Computational Physical-Chemistry for Nanosciences and QSAR, Biology-Chemistry Department, West University of Timisoara, Str. Pestalozzi 16, 300115 Timisoara, Romania
2. Laboratory of Renewable Energies-Photovoltaics, R&D National Institute for Electrochemistry and Condensed Matter –INCEMC–Timisoara, Str. Dr. Aurel Podeanu 144, 300569 Timișoara, Romania
Interests: quantum physical chemistry; nanochemistry; reactivity indices and principles; electronegativity; density functional theory; path integrals; enzyme kinetics; QSAR; epistemology and philosophy of science
Special Issues, Collections and Topics in MDPI journals
Special Issue in International Journal of Molecular Sciences: Atoms in Molecules and in Nanostructures
Special Issue in Molecules: Quantum Information in Molecular Structures and Nanosystems
Special Issue in International Journal of Molecular Sciences: Chemical Bond and Bonding 2015
Special Issue in International Journal of Molecular Sciences: Chemical Bond and Bonding 2016
Topical Collection in International Journal of Molecular Sciences: Chemical Bond and Bonding
Special Issue in International Journal of Molecular Sciences: Computational Eco, Bio, and Pharmaco-Toxicity 2016
Special Issue in International Journal of Molecular Sciences: Nano-Materials and Methods
Topical Collection in International Journal of Molecular Sciences: Advances in Chemical Bond and Bonding
Special Issue in Symmetry: Symmetries in Quantum Nano-Chemistry (from Structure to Properties, Observability and Functions)
Special Issue in International Journal of Molecular Sciences: Nano-Materials and Methods 2.0
Special Issue in Nanomaterials: Two Dimensional Nanomaterials: Energy Conversion and Storage
Special Issue in Processes: Advances of Protein Bioinformatics
Special Issue in International Journal of Molecular Sciences: Molecular Nano-Architectures: Chemistry and Physics
Special Issue in Molecules: Density Functional Theory in The Age of Chemical Intelligence
Special Issue in International Journal of Molecular Sciences: Nano-Materials and Methods 3.0
Special Issue in International Journal of Molecular Sciences: Molecular Nano-Architectures 2.0: Chemistry and Physics
Special Issue in International Journal of Molecular Sciences: Non-Covalent Interaction
Dr. Abhijit Chatterjee
Website
BIOVIA Materials Science Principal Scientist, Dassault Systems Biovia K.K., ThinkPark Tower 21F, 2-1-1 Osaki, Shinagawa-ku, Tokyo 141-6020, Japan
Interests: density functional theory; material designing; computational chemistry; inorganic catalytic material; catalytic reactions; inorganic membrane;  transition state calculation; atomistic simulation; ab initio first principle calculation; reactivity index
Special Issues, Collections and Topics in MDPI journals
Dr. Sotiris S. Xantheas
Website1 Website2
1. Laboratory Fellow, Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, PO Box 999, MS K1-83, Richland, WA 99352, USA
2. UW – PNNL Distinguished Faculty Fellow, Department of Chemistry, University of Washington, Seattle, WA 98104, USA
Interests: high-level electronic structure methods and applications; intermolecular interactions; aqueous clusters; many-body non-additive effects in aqueous environments; development of interaction potentials based on first principles electronic structure calculation; atmospherically important species and chemical reactions occurring in the atmosphere
Prof. Dr. Sławomir Filipek
Website
Biological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, 02-093 Warsaw, Poland
Interests: computational biology and chemistry; bioinformatics; medicinal chemistry; structural biology; molecular modeling; molecular dynamics; docking; G-protein-coupled receptors; amyloids; membranes
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Victor V. Nikonenko
Website
Dr. Rosaria Ciriminna
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Istituto per lo Studio dei Materiali Nanostrutturati, Consiglio Nazionale delle Ricerche, Via ugo La Malfa 153, 90146 Palermo, Italy
Interests: renewable energy and photovoltaics; catalytic and photocatalytic materials; biomass conversion
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Christophe Morell
Website
UCBL · Institut des sciences analytiques, Claude Bernard University Lyon 1, Lyon, France
Interests: theoretical chemistry; understanding chemical reactivity and selectivty; density functional theory; conceptual DFT
Prof. Dr. Loris Giovannini
Website
Dipartimento di Fisica e Scienze della Terra, University of Ferrara, Ferrara, Italy
Interests: nanoparticles; spin waves; phonons; Brillouin light spectroscopy; magnonic crystals; computational condensed matter physics
Special Issues, Collections and Topics in MDPI journals
Dr. Albert Rimola
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Quantumgrain Group, Universitat Autònoma de Barcelona, Barcelona, Spain
Interests: astrochemistry; prebiotic chemistry; chemical evolution; computational chemistry; surface modeling; grain surface chemistry; heterogeneous catalysis
Prof. Dr. Vasile Chiş
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Department of Biomolecular Physics, Faculty of Physics, Babeş-Bolyai University, 400084 Cluj-Napoca, Romania
Interests: computational spectroscopy; weak inter-molecular interactions; electronic structure of biomolecules (DFT and post Hartree-Fock methods); active pharmaceutical ingredients; vibrational spectroscopy techniques (IR, Raman, SERS); adsorption of molecules on surfaces; photophysics of biomolecules
Dr. Elena Dreassi
Website
Dipartimento Biotecnologie, Chimica e Farmacia, Università degli Studi di Siena, 53100 Siena, Italy
Interests: sustainability and neglected diseases; analytics; food chemistry; medicinal chemistry; rare tumors and emerging viruses
Dr. Andrzej Grzybowski
Website1 Website2
August Chełkowski Institute of Physics, Faculty of Science and Technology, Silesian Centre for Education and Interdisciplinary Research, University of Silesia in Katowice, 75 Pułku Piechoty 1, PL-41500 Chorzów, Poland
Interests: theoretical and experimental aspects of condensed matter physics covering the glass transition and related phenomena occurring in the supercooled liquid and glassy states of various materials, including their recrystallization; molecular dynamics simulations of liquids, supercooled liquids, and liquid crystals; methods for analyzing experimental data measured in ambient and high-pressure conditions using several techniques (dielectric, mechanical, and light-scattering spectroscopies, pressure–volume–temperature, and calorimetric measurements); equations of state; models of the thermodynamic evolution of dynamic quantities; dynamic heterogeneity and density scaling in model and real molecular systems; spatially confined systems
Special Issues, Collections and Topics in MDPI journals
Dr. Mark Andrew White
Website
Macromolecular X-ray Laboratory, Sealy Center For Structural Biology and Molecular Biophysics, Department of Biochemistry & Molecular Biology, University of Texas Medical Branch at Galveston, Galveston, TX, USA
Interests: macromolecular structure, function, and dynamics; allostery; viral protein structure, function, and inhibition; protein crystallography; solution small angle X-ray scattering (BioSAXS); molecular dynamics; in-silico inhibitor screening
Prof. Dr. Oleg N. Ulenikov

Research School of High Energy Physics, National Research Tomsk Polytechnic University, Tomsk, Russia
Interests: high-resolution molecular spectroscopy; molecules in solar planet atmospheres and astrophysics; intramolecular potential function parameters; effective Hamiltonians; spectroscopic properties of polyatomic molecules (H2S, H2O, SO2, H2C4, GeH4, SiH4, CH4, PH3, AsH3 and their different isotopologues); line strengths, widths and pressure shifts of spectral lines
Prof. Dr. Liviu F. Chibotaru
Website
Department of Chemistry, KU Leuven, 3000 Leuven, Belgium
Interests: ab initio calculations; molecular magnetism; magnetic anisotropy; spin qubits; electron correlation; superconductivity; vibronic interactions
Prof. Dr. Jack Tuszynski
Website
Experimental Oncology, University of Alberta, Edmonton, AB T6G 1Z2, Canada
Interests: computational drug design; systems biology of cancer and neurodegenerative diseases; tubulin
Special Issues, Collections and Topics in MDPI journals
Dr. Hee-Won Park
Website
Department of Medicine, Tulane University, New Orleans, LA, USA
Interests: X-ray crystallography; Chemical tool development for applications in drug target validation/prioritization
Dr. Mina Yoon
Website
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
Interests: computational materials science; condensed matter physics; nanoscale science; two-dimensional materials; energy materials; quantum materials; topological materials
Dr. José M.S.S. Esperança
Website
Faculdade de Ciencias e Tecnologia, New University of Lisbon, Caparica, Portugal
Interests: ionic liquids; physical chemistry; thermodynamics; liquid-liquid equilibria; gas hydrates; CO2
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Bronisław Marciniak
Website
Faculty of Chemistry, Adam Mickiewicz University, and Center for Advanced Technology, Poznań, Poland
Interests: photophysics; photochemistry; and radiation chemistry of organic compounds of biological interest; photo-induced chemical reactions in sulfur- or silicon-containing organic compounds of importance in biology and material chemistry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Krzysztof Bobrowski
Website
Centre of Radiation Research and Technology, Institute of Nuclear Chemistry and Technology, Warsaw, Poland
Interests: radiation- and photo-induced radical processes in sulfur containing amino acids; peptides; nucleobases; and heterocyclic compounds; long range electron transfer processes in peptides and proteins; oxidative stress; kinetics of free radicals; pulse radiolysis
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Gerhard Kraft
Website
Biophysics Department, GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt, Germany
Interests: ion beam therapy; molecular inteactions swift charged particles with biomolocules; radon therapy; energy deposition processes/microdosimetry; primary physical event in particle interaction
Prof. Dr. Grazia Cottone
Website
Department of Physics and Chemistry-Emilio Segrè, University of Palermo, Palermo, Italy
Interests: molecular modelling; molecular dynamics; biomolecular simulations; free energy methods; bionformatics; protein structure-dynamics-function; protein-ligand interactions; protein-solvent interaction
Dr. David Pérahia
Website
Laboratoire de Biologie et Pharmacologie Appliquée, École Normale Supérieure Paris-Saclay, Gif-sur-Yvette, France
Interests: normal mode analysis; molecular dynamics; large scale conformational changes of bio-macromolecules; collective movements; molecular modeling and simulation; allostery; structural pathways; protein-protein and protein-ligand interactions; docking; free energy; conformational sampling; conformational landscape; vibrational spectrum
Prof. Dr. Vladimir G. Tyuterev
Website
Laboratory of Quantum Mechanics and Radiative Transfer (QUAMER), Physics Department, Tomsk State University, 634050 Tomsk, Russia
Interests: molecular spectroscopy; atmospheric molecules; potential energy functions; effective Hamiltonians; methane, ozone; line intensities
Prof. Dr. Carlos A. Nieto De Castro
Website
Faculdade de Ciências, Universidade de Lisboa, Lisbon, Portugal
Interests: thermophysics; fluids; materials; nanosystems; nanofluids; ionanofluids; heat and mass transfer; solar energy
Special Issues, Collections and Topics in MDPI journals
Dr. Michael Filatov
Website
Chemistry Department, Kyungpook National University, Daegu, Korea
Interests: electronic structure theory; density functional theory; excited states; non-adiabatic dynamics; relativistic quantum chemistry; ultrafast spectroscopy; Mössbauer spectroscopy
Prof. Dr. Malcolm D´Souza
Website
Dean of Interdisciplinary/Collaborative Sponsored Research, Department of Chemistry, Wesley College, 120 N. State Street, Dover, DE 19901-3875, USA
Interests: chemical kinetics; solvolysis; LFERs (Linear Free Energy Relationships); QSARs (Quantitative Structure Activity Relationships); database user-needs analysis (database building)
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Gilles H. Peslherbe
Website
Centre for Research in Molecular Modeling (CERMM), Concordia University, Montreal, QC H4B1R6, Canada
Interests: biophysical chemistry; drug repurposing and molecular modeling; computational chemistry; materials and multi-scale modeling
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Linda A. Peteanu
Website
Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA 15213, USA
Interests: electronic materials; polymers; fluorescence; single molecule spectroscopy; optical spectroscopy; plasmonics; photonics
Prof. Dr. Luigi Monsù Scolaro
Website
Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali, University of Messina, Messina, Italy
Interests: supramolecular chemistry; porphyrins; nanostructured materials; self-assembling; aggregation kinetics; chirality; symmetry-breaking; homochirality
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Carlo Crescenzi
Website
Department of pharmacy, University of Salerno, 84084 Salerno, Italy
Interests: supramolecular chemistry; molecular recognition; separation science; graphitic sorbents
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Nancy Makri
Website
University of Illinois at Urbana-Champaign, Urbana, IL 61820, USA
Interests: quantum dynamics; path integral methods; tunneling; coherence; electron/proton/energy transport
Prof. Dr. Oleg V. Mikhailov
Website1 Website2 Website3
Certification and Quality Managing, Department of Analytical Chemistry, Kazan National Research Technology University, Kazan, Russia
Interests: sociology of science; scientometrics; research evaluation; bibliometric indexes; scholarly publications; publication activity; responsible metrics; theoretical and quantum chemistry
Special Issues, Collections and Topics in MDPI journals
Dr. Kee Sung Han
Website
Pacific Northwest National Laboratory, Richland, WA, USA
Interests: solid-state NMR; PFG-NMR; batteries and fuel cells
Prof. Dr. Timon Rabczuk
grade Website1 Website2
Faculty of Civil Engineering, Bauhaus University Weimar, Marienstrasse 15, 99423 Weimar, Germany
Interests: 2D materials; DFT/MD simulations; machine learning based potentials; batteries; electrode/anode materials; mechanical/thermal/electronic properties
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Andrea Romeo
Website
Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali, University of Messina, Messina, Italy
Interests: nanoaggregates; porphyrins; polymers; expression and transmission of chirality at nano and mesoscopic scale; disassembling; kinetics; spectroscopy
Special Issues, Collections and Topics in MDPI journals
Dr. Chikara Sato
Website
National Institute of Advanced Industrial Science and Technology, Tsukuba, Japan
Interests: electron microscopy; liquid-phase EM; cryo-EM, molecular complex; biophysics; neural network; nanostructure
Special Issues, Collections and Topics in MDPI journals
Dr. Wolfgang Quapp
Website
Leipzig University, Mathematisches Institut, Universität Leipzig, PF 100920, D‐04009 Leipzig, Germany
Interests: chemical reaction pathways; transition state search; bifurcations; mechanochemistry; reaction rates
Prof. Dr. Andrea Salis
Website1 Website2
Dipartimento di Scienze Chimiche e Geologiche, Università di Cagliari, Cittadella Universitaria, S.S. 554 bivio Sestu, 09042 Monserrato (CA), Italy
Interests: nanostructured materials; ordered mesoporous silica; metal–organic frameworks; nano–bio interfaces and nanobiotechnologies; biocatalysis (enzyme immobilization, enzymatic biofuel production, biosensors); nanomedicine; ion-specific “Hofmeister” effects; biophysical chemistry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Alexander B. Doktorov
Website
Voevodsky Institute of Chemical Kinetics and Combustion Siberian Branch of the Russian Academy of Sciences, Novosibirsk, Russia
Interests: physicochemical processes in solutions; diffusion-influenced reactions; multistage chemical reactions; electron and energy transfer reactions; luminescence quenching; multisite reactions; kinetic equations; magneto-spin effects in chemical reactions
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Janusz Adam Rak
Website
Department of Physical Chemistry, Uniwersytet Gdanski, Gdańsk, Poland
Interests: radiation chemistry; photochemistry; quantum-chemistry; DNA damage
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Marco Pettini
Website
Centre de Physique Théorique, UMR 7332, and Aix-Marseille University, Luminy Campus, Case 907, 13288 Marseille, CEDEX 9, France
Interests: atomic physics; nonlinear dynamics: theory and applications; dynamical foundations of statistical mechanics; differential geometry in Hamiltonian dynamics; differential topology and phase transitions theory; complex systems; biophysics
Prof. Dr. Nissim Garti
Website
Hebrew University of Jerusalem, 91905 Jerusalem, Israel
Interests: colloid chemistry; interracial science; dispersed systems; nanotechnology; delivery of bioactives; lyotropic liquid crystals; nutraceuticals; crysytallization and polymorphism; fats and oils
Dr. Antonio Bauzá
Website
Departament de Química, Universitat de les Illes Balears, Palma de Mallorca, 07122 Baleares, Spain
Interests: noncovalent interactions; supramolecular chemistry; Lewis acid–Lewis base interactions; crystal engineering; theoretical chemistry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Claude Pouchan
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Institute of Analytical and Physical Chemistry for Environment and Materials, CNRS, University of Pau and Pays de l'Adour, Hélioparc, 2 Avenue Président Angot, 64053 Pau, France
Interests: theoretical chemistry; Ab-initio and DFT methods; molecular dynamic; potential energy surfaces; computational spectroscopy; astrochemistry
Prof. Dr. Josep Maria Bofill
Website
Institut de Química Teòrica i Computacional de la Universitat de Barcelona (IQTCUB), Departament de Química Inorgànica i Orgànica, Secció de Química Orgànica, Universitat de Barcelona, Barcelona, Spain
Interests: theoretical and computational chemistry; physical organic chemistry
Prof. Dr. Danuta Kruk
Website
Faculty of Mathematics and Computer Science, University of Warmia&Mazury in Olsztyn, Słoneczna 54, 10-710 Olsztyn, Poland
Interests: nuclear magnetic resonance relaxometry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Taiha Joo
Website
Department of Chemistry, Pohang University of Science and Technology (POSTECH), Pohang 37673, Korea
Interests: molecular reaction dynamics; excited state dynamics; probe and exploitation of vibrational and electronic coherences; femtosecond spectroscopy; time-resolved fluorescence for spectroscopy and dynamics
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Umberto Marini Bettolo Marconi
Website
School of Science and Technology, Università degli Studi di Camerino, Camerino, Italy
Interests: active matter; nanofluidics; non equilibrium statistical physics
Prof. Dr. Adrian Daniel Boese
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Institute of Chemistry, Karl-Franzens-Universitat Graz, Graz, Austria
Interests: theoretical method development: density functional methods, QM:QM and QM:MM embedding methods, anharmonic force fields, symmetry adapted perturbation theory; computational chemistry: molecular crystals, molecule/surface-interactions, hydrogen-bonded interactions
Prof. Dr. Woo-Sik Kim
Website
Department of Chemical Engineering, Kyung Hee University, Yongin-si, Gyeonggi-do 446-701, Korea
Interests: molecular separation; crystallization; polymorphism; phase transformation; nano crystal synthesis
Dr. Andrei Pakhomov
Website
Frank Reidy Research Center for Bioelectrics, Old Dominion University, Norfolk, VA 23508, USA
Interests: electroporation and electrostimulation, bioelectromagnetics; cell membrane permeability and nanopores; bioeffects, mechanisms, and medical applications of pulsed electric fields, with emphasis on nanosecond stimuli
Prof. Dr. Majdi Hochlaf
Website
Université Gustave Eiffel, Marne-la-Vallee, 77420 Champs-sur-Marne, France
Interests: theoretical chemistry, ab initio and DFT computations; IR UV-VIS and XUV Spectroscopies; reactivity; quantum dynamics; gas surface interaction; astrochemistry
Prof. Dr. Ivan Kempson
Website
Future Industries Institute, University of South Australia, Mawson Lakes, SA 5095, Australia
Interests: nanomedicine; bio-inorganic interactions; physical chemistry; nanoparticles; radiotherapy; trace-elements
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Janina Kneipp
Website
Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, 12489 Berlin, Germany
Interests: vibrational (Raman, FTIR) spectroscopy; microspectroscopy; surface enhanced Raman scattering and related effects; multiphoton excitation; plasmonics; biophotonics
Prof. Dr. Luísa Margarida Martins
Website
Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal
Interests: Coordination Chemistry; functionalized materials; c-scorpionate-based catalysts; sustainable catalytic systems; homogeneous and supported catalysis; Nanocatalysis; molecular electrochemistry
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Carlos Miguel Costa
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Prof. Dr. Yasushi Nishihara
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Research Institute for Interdisciplinary Science, Okayama University, Tsushimanaka, Kita-ku, Okayama 700-8530, Japan
Interests: organic synthesis; activation of unreactive chemical bonds; isolation and determination of the structures
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Masahiko Iyoda
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Department of Chemistry, Graduate School of Science, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397, Japan
Interests: organic synthesis of functional conjugated systems; noncovalent synthesis of functional nanostructures; applications of functional organic systems in materials science
Prof. Dr. Hyotcherl Ihee
Website
Department of Chemistry, Korea Advanced Institute of Science and Technology, Daejeon, Korea
Interests: molecular structural dynamics; protein structural dynamics; time-resolved scattering; time-resolved spectroscopy; X-ray liquidography; femtochemistry; ultrafast phenomena
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Elfi Kraka
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Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, Dallas, TX 75275-0314, USA
Interests: theoretical chemistry; method development and application; de novo catalyst design; quantum chemical description of enzyme catalysis; bonding theory based on vibrational spectroscopy; conformational analysis of macromolecules including DNA and RNA; protein structure and folding; computer-assisted drug design
Prof. Dr. Anatoly L. Buchachenko
Website
Institute of Chemical Physics Russian Academy of Sciences, Moscow University, 142432 Moscow, Russia
Interests: chemistry and physics of stable radicals and high spin molecules; ESR spectroscopy; NMR spectroscopy of paramagnets; spin chemistry; organic (molecular) ferromagnetis
Prof. Dr. Tiziana Marino
Website
Department of Chemistry and Chemical Technologies, University of Calabria, Rende, Italy
Interests: computational theoretical chemistry; conformational macromolecules; amino acids; peptides; nucleic acid; enzymes; metallo-enzymes; photosensitizer molecules
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Rajender S. Varma
grade Website
1. ORD National Risk Management Research Laboratory, U.S. Environmental Protection Agency, Cincinnati, OH 45268, USA
2. Regional Centre of Advanced Technologies and Materials, Faculty of Science, Palacky University Olomouc, Šlechtitelů 11, 783 71 Olomouc, Czech Republic
Interests: organic chemistry; nanotechnology; synthetic organic chemistry; heterogeneous analysis; synthetic heterocyclic chemistry; nano-catalysis; microwave assisted organic synthesis
Special Issues, Collections and Topics in MDPI journals
Dr. Lalith Perera
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National Institute of Environmental Health Sciences, Genome Integrity and Structural Biology Laboratory, Research Triangle Park, NC, USA
Interests: computational chemistry; structural biology; molecular modeling; molecular dynamics; QM/MM calculations; docking; enzyme catalysis; reaction mechanisms; biomolecular assemblies and interactions; metals in biology
Dr. Francisco Torrens
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Institut Universitari de Ciencia Molecular, Edifici d'Instituts de Paterna, P. O. Box 22085, E-46071 Valencia, Spain
Interests: theoretical chemistry; physical chemistry; mathematical chemistry; computational chemistry; molecular modelling; simulation and design; computer-aided drug design and development; molecular graphics and representation of molecular properties
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Abderrazzak Douhal
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Departamento de Química Física, Facultad de Ciencias Ambientales y Bioquímica, Campus Tecnolóogico de Toledo, Universidad de Castilla La Mancha (UCLM), Avenida Carlos III, S.N., 45071 Toledo, Spain
Interests: femtochemistry; femtobiology; fhemical and biological confinement effects; nanophotonics; drugs delivery; DSSCs; perovskite solar cells; LEDs; silica-based material composites photochemitry; MOFs; COFs and HOFs photochemistry; single molecule and crystal photoevents; proton transfer; electron transfer energy transfer
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Francesco Mallamace
Website
1. MIFT Department, Universita degli Studi di Messina, Messina, Italy
2. Department of Nuclear Science and Engineering Massachusetts Institute of Technology, Cambridge, MA, USA
Interests: water and water systems; scattering processes; polymers; bio-polymers and nano-materials
Special Issues, Collections and Topics in MDPI journals
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