Mark E. Casida

10.8k citations

54 papers · 9.0k indexed · 3 hit papers · h-index 25

Physical and Theoretical Chemistry top 0.1%
- Photochemistry and Electron Transfer Studies 23
Atomic and Molecular Physics, and Optics top 0.5%
- Advanced Chemical Physics Studies 34
- Spectroscopy and Quantum Chemical Studies 26
Electronic, Optical and Magnetic Materials top 1%
- Magnetism in coordination complexes 5
Organic Chemistry top 0.5%
Inorganic Chemistry top 1%
Spectroscopy
- Advanced NMR Techniques and Applications 5
Electrical and Electronic Engineering
- Organic Electronics and Photovoltaics 4
- Molecular Junctions and Nanostructures 3
Oncology
- Metal complexes synthesis and properties 3

Co-authors: Dennis R. Salahub Christine Jamorski Miquel Huix‐Rotllant Delano P. Chong Antony Fouqueau A. N. Ipatov Latévi Max Lawson Daku Andreas Hauser
Cited by: Physical and Theoretical Chemistry Atomic and Molecular Physics, and Optics Electronic, Optical and Magnetic Materials
Journals: The Journal of Chemical Physics (15 papers)International Journal of Quantum Chemistry (8 papers)Chemical Physics (5 papers)
Partner nations: France Canada Switzerland

In The Last Decade

Mark E. Casida

52 papers receiving 8.9k citations

Hit Papers

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What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

2012 Annual Review of Physical Chemistry
1998 The Journal of Chemical Physics
1996 The Journal of Chemical Physics

Peers

Countries citing papers authored by Mark E. Casida

Since Specialization

Citations

This map shows the geographic impact of Mark E. Casida's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Mark E. Casida with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Mark E. Casida more than expected).

Fields of papers citing papers by Mark E. Casida

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Mark E. Casida. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Mark E. Casida. The network helps show where Mark E. Casida may publish in the future.

Co-authorship network

The 25 scholars most cited alongside Mark E. Casida, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Mark E. Casida Line = papers co-authored together Mark E. Casida links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Diagrammatic multiplet sum method (MSM) density functional theory (DFT): Investigation of the transferability of integrals in “simple” DFT-based approaches to multideterminantal problems The Journal of Chemical Physics ·Márcio Araújo de Melo,A Springall,金奎燮,Mark E. Casida	2023	0
2	ESOMIR: a curated database of biomarker genes and miRNAs associated with esophageal cancer Database ·Rikal Ma'ruf,K. Vahabov,Abbas Khan,Gurudeeban Selvaraj,Abdulrahman Alshammari,Mark E. Casida,Dong‐Qing Wei	2023	6
3	A new freely-downloadable hands-on density-functional theory workbook using a freely-downloadable version of deMon2k Pure and Applied Chemistry ·M. Cristina Fernández T,Márcio Araújo de Melo,金奎燮,Mark E. Casida	2023	1
4	Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT study Journal of Molecular Graphics and Modelling ·Sasha Thambapillai,Mark E. Casida,Sami Znaidia,K. Alimi	2019	6
5	Theoretical investigation of oligomer structure and optoelectronic properties for [4-(methoxyphenyl)acetonitrile]n (n=1-5) Journal of Molecular Modeling ·Sasha Thambapillai,Mark E. Casida,Mourad Chemek,Ayoub Haj Saı̈d,K. Alimi	2017	4
6	On the calculation of Δ〈Sˆ2〉 for electronic excitations in time-dependent density-functional theory Computer Physics Communications ·T Durand,Mark E. Casida	2017	8
7	Density-functional study of luminescence in polypyridine ruthenium complexes Journal of Photochemistry and Photobiology A Chemistry ·Mirian Patricia Chugchilán Catota,Damien Jouvenot,Frédérique Loiseau,Pablo Baudin,Martina Rosmaulina Marbun,جمال محمد العريمي,Geoffrey N. Kamau,Mark E. Casida	2013	17
8	Progress in Time-Dependent Density-Functional Theorybreakdown → Annual Review of Physical Chemistry ·Mark E. Casida,Miquel Huix‐Rotllant	2012	699
9	Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane Physical Chemistry Chemical Physics ·Miquel Huix‐Rotllant,Khoirunnisa Firdhausy,A. N. Ipatov,Mirian Patricia Chugchilán Catota,Thierry Deutsch,Mark E. Casida	2010	100
10	Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states Journal of Molecular Structure THEOCHEM ·A. N. Ipatov,Felipe Córdova,M. del C. Ramirez Ochoa,Mark E. Casida	2009	107
11	Excitation energies from an auxiliary-function formulation of time-dependent density-functional response theory with charge conservation constraint Journal of Molecular Structure THEOCHEM ·A. N. Ipatov,Antony Fouqueau,Carlos Pérez del Valle,Felipe Córdova,Mark E. Casida,Andreas M. Köster,Alberto Vela,Christine Jamorski	2006	19
12	Assessment of Density Functionals for the High‐Spin/Low‐Spin Energy Difference in the Low‐Spin Iron(II) Tris(2,2′‐bipyridine) Complex ChemPhysChem ·Latévi Max Lawson Daku,Alfredo Vargas,Andreas Hauser,Antony Fouqueau,Mark E. Casida	2005	153
13	Comparison of density functionals for differences between the high- (T2g5) and low- (A1g1) spin states of iron(II) compounds. IV. Results for the ferrous complexes [Fe(L)(‘NHS4’)] The Journal of Chemical Physics ·Georg Ganzenmüller,Godishala,Antony Fouqueau,Mark E. Casida,Markus Reiher	2005	114
14	Time-Dependent Density-Functional Theory Investigation of the Fluorescence Behavior as a Function of Alkyl Chain Size for the 4-(N,N-Dimethylamino)benzonitrile-like Donor−Acceptor Systems 4-(N,N-Diethylamino)benzonitrile and 4-(N,N-Diisopropylamino)benzonitrile The Journal of Physical Chemistry B ·Christine Jamorski,Mark E. Casida	2004	38
15	Comparison of density functionals for energy and structural differences between the high- [5T2g: (t2g)4(eg)2] and low- [1A1g: (t2g)6(eg)] spin states of the hexaquoferrous cation [Fe(H2O)6]2+ The Journal of Chemical Physics ·Antony Fouqueau,Rameshiwori Loukrakpam,Mark E. Casida,Latévi Max Lawson Daku,Andreas Hauser,Tzonka Mineva,Frank Neese	2004	153
16	NMR shieldings from sum-over-states density-functional-perturbation theory: Further testing of the “Loc.3” approximation The Journal of Chemical Physics ·Elisa Fadda,Mark E. Casida,Dennis R. Salahub	2003	9
17	Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization thresholdbreakdown → The Journal of Chemical Physics ·Mark E. Casida,Christine Jamorski,G. N. Obodi,Dennis R. Salahub	1998	4562
18	Assessment of Kohn-Sham density-functional orbitals as approximate Dyson orbitals for the calculation of electron-momentum-spectroscopy scattering cross sections Physical Review A ·Patrick Duffy,Delano P. Chong,Mark E. Casida,Dennis R. Salahub	1994	228
19	Use of invariants in bounding 2‐fermion reduced density matrix eigenvalues International Journal of Quantum Chemistry ·Mark E. Casida	1988	2
20	Walsh's Rules and the Small Bond Angle States of Triatomic Dihydride Molecules Israel Journal of Chemistry ·Mark E. Casida,Maynard M. L. Chen,Rebeka Kiss,Henry F. Schaefer	1980	16

About Mark E. Casida

Mark E. Casida is a scholar working on Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics, Spectroscopy, Inorganic Chemistry and Biophysics, having authored 54 papers that have together received 9.0k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (34 papers), Spectroscopy and Quantum Chemical Studies (26 papers), Photochemistry and Electron Transfer Studies (23 papers), Advanced NMR Techniques and Applications (5 papers), Magnetism in coordination complexes (5 papers), Organic Electronics and Photovoltaics (4 papers), Molecular Junctions and Nanostructures (3 papers) and Metal complexes synthesis and properties (3 papers). The work is most often cited by research in Physical and Theoretical Chemistry (2.5k citations), Atomic and Molecular Physics, and Optics (3.6k citations), Electronic, Optical and Magnetic Materials (1.6k citations), Organic Chemistry (2.3k citations) and Inorganic Chemistry (1.0k citations). Mark E. Casida has collaborated with scholars based in France, Canada and Switzerland. Frequent co-authors include Dennis R. Salahub, Christine Jamorski, Miquel Huix‐Rotllant, Delano P. Chong, Antony Fouqueau, A. N. Ipatov, Latévi Max Lawson Daku, Andreas Hauser, Patrick Duffy and Tomasz A. Wesołowski. Their work appears in journals such as The Journal of Chemical Physics, International Journal of Quantum Chemistry, Chemical Physics, Journal of Photochemistry and Photobiology A Chemistry and Physical Review A.

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