His primary areas of study are Singlet fission, Excited state, Intramolecular force, Singlet state and Crystallography. His research in Excited state intersects with topics in Implicit solvation, Coupled cluster and Atomic orbital. His Atomic orbital study combines topics in areas such as Triplet state, Intermolecular force, Quantum chemistry, Statistical physics and Density functional theory.
He has included themes like Photochemistry, Ultrafast laser spectroscopy, Photoexcitation and Quantum yield in his Intramolecular force study. His Crystallography research incorporates elements of Polyhedron and Metal clusters. His research integrates issues of Molecule, Tetracene and Exciton in his study of Atomic physics.
His primary scientific interests are in Excited state, Photochemistry, Electronic structure, Molecule and Density functional theory. Excited state is closely attributed to Intramolecular force in his research. He combines subjects such as Molecular physics, Electronic effect and Electron density with his study of Electronic structure.
His Molecule research includes themes of Chemical physics, Diradical and Character. His Density functional theory study incorporates themes from Quantum dot, Excimer, Statistical physics and Absorption spectroscopy. His work deals with themes such as Spin and Tetracene, which intersect with Singlet fission.
His primary areas of investigation include Density functional theory, Electronic structure, Exciton, Excited state and Chemical physics. His work carried out in the field of Density functional theory brings together such families of science as Intramolecular force and Wave function. Within one scientific family, David Casanova focuses on topics pertaining to Excimer under Exciton, and may sometimes address concerns connected to Singlet fission.
His Singlet fission research is within the category of Atomic physics. His research in Excited state intersects with topics in Polar effect, Aromaticity and Character. David Casanova combines subjects such as Solar cell, Perovskite, Electron and Heterojunction with his study of Chemical physics.
His main research concerns Density functional theory, Orders of magnitude, Ion, Atomic physics and Ionization. His studies deal with areas such as Exciton, Heterojunction, Perovskite, Solar cell and Electron as well as Density functional theory. His Orders of magnitude research is multidisciplinary, relying on both Xenon, Neutrino, Fluorescence, Dication and Atom.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
Shape maps and polyhedral interconversion paths in transition metal chemistry
Santiago Alvarez;Pere Alemany;David Casanova;Jordi Cirera.
Coordination Chemistry Reviews (2005)
The Rich Stereochemistry of Eight‐Vertex Polyhedra: A Continuous Shape Measures Study
David Casanova;Miquel Llunell;Pere Alemany;Santiago Alvarez.
Chemistry: A European Journal (2005)
Mechanism for Singlet Fission in Pentacene and Tetracene: From Single Exciton to Two Triplets
Paul M. Zimmerman;Franziska Bell;Franziska Bell;David Casanova;Martin Head-Gordon;Martin Head-Gordon.
Journal of the American Chemical Society (2011)
Minimal Distortion Pathways in Polyhedral Rearrangements
David Casanova;Jordi Cirera;Miquel Llunell;Pere Alemany.
Journal of the American Chemical Society (2004)
Theoretical Modeling of Singlet Fission
Chemical Reviews (2018)
Distortions in octahedrally coordinated d0 transition metal oxides : A continuous symmetry measures approach
Kang Min Ok and;P. Shiv Halasyamani;David Casanova;Miquel Llunell.
Chemistry of Materials (2006)
Polyhedral Structures with an Odd Number of Vertices: Nine‐Coordinate Metal Compounds
Antonio Ruiz-Martínez;David Casanova;Santiago Alvarez.
Chemistry: A European Journal (2008)
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples.
David Casanova;Martin Head-Gordon.
Physical Chemistry Chemical Physics (2009)
Shape and Symmetry of Heptacoordinate Transition‐Metal Complexes: Structural Trends
David Casanova;Pere Alemany;Josep M. Bofill;Santiago Alvarez.
Chemistry: A European Journal (2003)
If you think any of the details on this page are incorrect, let us know.
We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below: