D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 41 Citations 9,964 133 World Ranking 14285 National Ranking 581

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Electron

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 most cited work include:

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package (1461 citations)
  • Shape maps and polyhedral interconversion paths in transition metal chemistry (565 citations)
  • The Rich Stereochemistry of Eight‐Vertex Polyhedra: A Continuous Shape Measures Study (423 citations)

What are the main themes of his work throughout his whole career to date?

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.

He most often published in these fields:

  • Excited state (47.93%)
  • Photochemistry (42.01%)
  • Electronic structure (39.05%)

What were the highlights of his more recent work (between 2019-2021)?

  • Density functional theory (26.04%)
  • Electronic structure (39.05%)
  • Exciton (15.98%)

In recent papers he was focusing on the following fields of study:

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.

Between 2019 and 2021, his most popular works were:

  • Spin-flip methods in quantum chemistry. (25 citations)
  • Spin-flip methods in quantum chemistry. (25 citations)
  • MAI Termination Favors Efficient Hole Extraction and Slow Charge Recombination at the MAPbI3/CuSCN Heterojunction (5 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Organic chemistry
  • Electron

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.

Best Publications

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)

2551 Citations

Shape maps and polyhedral interconversion paths in transition metal chemistry

Santiago Alvarez;Pere Alemany;David Casanova;Jordi Cirera.
Coordination Chemistry Reviews (2005)

845 Citations

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)

620 Citations

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)

436 Citations

Minimal Distortion Pathways in Polyhedral Rearrangements

David Casanova;Jordi Cirera;Miquel Llunell;Pere Alemany.
Journal of the American Chemical Society (2004)

348 Citations

Theoretical Modeling of Singlet Fission

David Casanova.
Chemical Reviews (2018)

322 Citations

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)

320 Citations

Polyhedral Structures with an Odd Number of Vertices: Nine‐Coordinate Metal Compounds

Antonio Ruiz-Martínez;David Casanova;Santiago Alvarez.
Chemistry: A European Journal (2008)

288 Citations

Restricted active space spin-flip configuration interaction approach: theory, implementation and examples.

David Casanova;Martin Head-Gordon.
Physical Chemistry Chemical Physics (2009)

277 Citations

Shape and Symmetry of Heptacoordinate Transition‐Metal Complexes: Structural Trends

David Casanova;Pere Alemany;Josep M. Bofill;Santiago Alvarez.
Chemistry: A European Journal (2003)

214 Citations

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