Michael J. Frisch

92.9k total citations · 29 hit papers
280 papers, 81.5k citations indexed

About

Michael J. Frisch is a scholar working on Atomic and Molecular Physics, and Optics, Spectroscopy and Physical and Theoretical Chemistry. According to data from OpenAlex, Michael J. Frisch has authored 280 papers receiving a total of 81.5k indexed citations (citations by other indexed papers that have themselves been cited), including 205 papers in Atomic and Molecular Physics, and Optics, 94 papers in Spectroscopy and 70 papers in Physical and Theoretical Chemistry. Recurrent topics in Michael J. Frisch's work include Advanced Chemical Physics Studies (159 papers), Spectroscopy and Quantum Chemical Studies (114 papers) and Molecular spectroscopy and chirality (49 papers). Michael J. Frisch is often cited by papers focused on Advanced Chemical Physics Studies (159 papers), Spectroscopy and Quantum Chemical Studies (114 papers) and Molecular spectroscopy and chirality (49 papers). Michael J. Frisch collaborates with scholars based in United States, France and Italy. Michael J. Frisch's co-authors include John A. Pople, Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski, J. Stephen Binkley, Martin Head‐Gordon, Gustavo E. Scuseria, Giovanni Scalmani, R. Stratmann and James R. Cheeseman and has published in prestigious journals such as Science, Journal of the American Chemical Society and The Journal of Chemical Physics.

In The Last Decade

Michael J. Frisch

275 papers receiving 79.9k citations

Hit Papers

Ab Initio Calculation of ... 1980 2026 1995 2010 1994 1984 1998 1996 1988 5.0k 10.0k 15.0k
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.

  1. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
    1994 19.7k citations Michael J. Frisch et al. profile →
  2. Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
    1984 7.6k citations Michael J. Frisch et al. The Journal of Chemical Physics profile →
  3. An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
    1998 4.6k citations Michael J. Frisch et al. The Journal of Chemical Physics profile →
  4. Using redundant internal coordinates to optimize equilibrium geometries and transition states
    1996 2.5k citations H. Bernhard Schlegel, Michael J. Frisch et al. Journal of Computational Chemistry profile →
  5. MP2 energy evaluation by direct methods
    1988 2.5k citations Michael J. Frisch et al. profile →
  6. A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
    1999 2.4k citations Michael J. Frisch, George A. Petersson et al. The Journal of Chemical Physics profile →
  7. Continuous surface charge polarizable continuum models of solvation. I. General formalism
    2010 2.3k citations Giovanni Scalmani, Michael J. Frisch The Journal of Chemical Physics profile →
  8. Toward a systematic molecular orbital theory for excited states
    1992 2.2k citations Michael J. Frisch et al. profile →
  9. A comparison of models for calculating nuclear magnetic resonance shielding tensors
    1996 2.0k citations James R. Cheeseman, Michael J. Frisch et al. The Journal of Chemical Physics profile →
  10. A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
    1999 1.8k citations Keiji Morokuma, Michael J. Frisch et al. profile →
  11. A complete basis set model chemistry. VII. Use of the minimum population localization method
    2000 1.7k citations Michael J. Frisch, George A. Petersson et al. The Journal of Chemical Physics profile →
  12. A direct MP2 gradient method
    1990 1.6k citations Michael J. Frisch et al. profile →
  13. Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model
    2006 1.2k citations Giovanni Scalmani, Michael J. Frisch et al. The Journal of Chemical Physics profile →
  14. Semi-direct algorithms for the MP2 energy and gradient
    1990 1.2k citations Michael J. Frisch et al. profile →
  15. Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations
    1996 1.2k citations Michael J. Frisch et al. profile →
  16. Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory
    1980 1.1k citations Michael J. Frisch et al. The Journal of Chemical Physics profile →
  17. Solvent effects. 1. The mediation of electrostatic effects by solvents
    1991 891 citations Michael J. Frisch et al. profile →
  18. The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
    1992 878 citations Michael J. Frisch et al. profile →
  19. Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM
    2006 818 citations Thom Vreven, Keiji Morokuma et al. Journal of Chemical Theory and Computation profile →
  20. A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
    2006 707 citations Vincenzo Barone, Giovanni Scalmani et al. The Journal of Chemical Physics profile →
  21. Extensive theoretical studies of the hydrogen-bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2
    1986 626 citations Michael J. Frisch, Janet E. Del Bene et al. The Journal of Chemical Physics profile →
  22. Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules
    2002 623 citations James R. Cheeseman, Michael J. Frisch et al. The Journal of Physical Chemistry A profile →
  23. Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
    2003 518 citations Thom Vreven, Keiji Morokuma et al. Journal of Computational Chemistry profile →
  24. Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals
    2001 514 citations H. Bernhard Schlegel, Michael J. Frisch et al. The Journal of Chemical Physics profile →
  25. A Density Functional with Spherical Atom Dispersion Terms
    2012 492 citations George A. Petersson, Michael J. Frisch et al. Journal of Chemical Theory and Computation profile →
  26. Solvent effects. 3. Tautomeric equilibria of formamide and 2-pyridone in the gas phase and solution: an ab initio SCRF study
    1992 477 citations Michael J. Frisch et al. profile →
  27. Theoretical study of blocked glycine and alanine peptide analogs
    1991 314 citations Michael J. Frisch et al. profile →
  28. Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl)
    1985 236 citations Michael J. Frisch et al. profile →
  29. Comprehensive theoretical study of isomers and rearrangement barriers of even-electron polyatomic molecules HmABHn (A, B = carbon, nitrogen, oxygen, and fluorine)
    1983 199 citations Michael J. Frisch et al. profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author Last Decade Papers Cites
Michael J. Frisch 31.0k 28.4k 20.9k 17.7k 16.8k 280 81.5k
Vincenzo Barone 28.3k 0.9× 29.1k 1.0× 24.4k 1.2× 20.5k 1.2× 17.1k 1.0× 904 87.2k
Chengteh Lee 23.5k 0.8× 35.5k 1.3× 27.7k 1.3× 15.2k 0.9× 13.1k 0.8× 26 90.2k
Martin Head‐Gordon 43.2k 1.4× 15.0k 0.5× 21.8k 1.0× 16.7k 0.9× 13.4k 0.8× 684 77.7k
Reinhart Ahlrichs 27.8k 0.9× 31.6k 1.1× 30.2k 1.4× 14.9k 0.8× 12.1k 0.7× 324 91.0k
Mark S. Gordon 25.2k 0.8× 16.3k 0.6× 14.4k 0.7× 11.1k 0.6× 10.0k 0.6× 572 54.6k
Warren J. Hehre 21.9k 0.7× 25.7k 0.9× 15.3k 0.7× 12.8k 0.7× 12.2k 0.7× 214 62.0k
Henry F. Schaefer 42.4k 1.4× 21.3k 0.7× 11.9k 0.6× 12.3k 0.7× 17.1k 1.0× 1.7k 69.5k
Yan Zhao 16.5k 0.5× 26.1k 0.9× 22.0k 1.0× 10.1k 0.6× 7.0k 0.4× 601 74.4k
Larry A. Curtiss 21.7k 0.7× 21.7k 0.8× 21.9k 1.0× 10.4k 0.6× 8.3k 0.5× 497 72.8k
Weitao Yang 41.7k 1.3× 47.4k 1.7× 45.5k 2.2× 23.5k 1.3× 17.7k 1.1× 416 139.0k

Countries citing papers authored by Michael J. Frisch

Since Specialization
Citations

This map shows the geographic impact of Michael J. Frisch'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 Michael J. Frisch with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Michael J. Frisch more than expected).

Fields of papers citing papers by Michael J. Frisch

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Michael J. Frisch. 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 Michael J. Frisch. The network helps show where Michael J. Frisch may publish in the future.

Co-authorship network of co-authors of Michael J. Frisch

This figure shows the co-authorship network connecting the top 25 collaborators of Michael J. Frisch. A scholar is included among the top collaborators of Michael J. Frisch based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Michael J. Frisch. Michael J. Frisch is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Mendolicchio, Marco, et al.. (2025). Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic molecules. Physical Chemistry Chemical Physics. 27(31). 16383–16397. 7 indexed citations
2.
Marenich, Aleksandr V., Edward N. Brothers, Hrant P. Hratchian, & Michael J. Frisch. (2025). Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries. Journal of Chemical Theory and Computation. 21(21). 10930–10944. 2 indexed citations
3.
4.
Brémond, Éric, J. C. Sancho-Garcı́a, Á. J. Pérez‐Jiménez, et al.. (2024). Axial–equatorial equilibrium in substituted cyclohexanes: a DFT perspective on a small but complex problem. Physical Chemistry Chemical Physics. 26(10). 8094–8105. 4 indexed citations
5.
Cheeseman, James R., Michael J. Frisch, & Timothy A. Keiderling. (2024). Increased accuracy of vibrational circular dichroism calculations for isotopically labeled helical peptides. Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy. 313. 124097–124097. 1 indexed citations
6.
Liao, Can, Joseph M. Kasper, Andrew J. Jenkins, et al.. (2023). State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin–Orbit Coupling: Benchmark and Perspectives. JACS Au. 3(2). 358–367. 18 indexed citations
7.
Verma, Pragya, et al.. (2023). M11pz: A Nonlocal Meta Functional with Zero Hartree–Fock Exchange and with Broad Accuracy for Chemical Energies and Structures. Journal of Chemical Theory and Computation. 19(24). 9102–9117. 2 indexed citations
8.
Frisch, Michael J., et al.. (2022). Improved Geometries and Frequencies with the PFD-3B DFT Method. The Journal of Physical Chemistry A. 126(34). 5814–5820. 1 indexed citations
9.
Westmoreland, Phillip R., et al.. (2022). A Bond-Energy/Bond-Order and Populations Relationship. Journal of Chemical Theory and Computation. 18(8). 4774–4794. 12 indexed citations
10.
Petersson, George A., et al.. (2020). Three-Body Dispersion Corrections to the Spherical Atom Model: The PFD-3B Density Functional. The Journal of Physical Chemistry A. 124(49). 10296–10311. 4 indexed citations
11.
Hu, Hang, Andrew J. Jenkins, Hongbin Liu, et al.. (2020). Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space. Journal of Chemical Theory and Computation. 16(5). 2975–2984. 39 indexed citations
12.
Jenkins, Andrew J., Hongbin Liu, Joseph M. Kasper, Michael J. Frisch, & Xiaosong Li. (2019). Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method. Journal of Chemical Theory and Computation. 15(5). 2974–2982. 33 indexed citations
13.
Janesko, Benjamin G., Emil Proynov, Jing Kong, Giovanni Scalmani, & Michael J. Frisch. (2017). Practical Density Functionals beyond the Overdelocalization–Underbinding Zero-Sum Game. The Journal of Physical Chemistry Letters. 8(17). 4314–4318. 43 indexed citations
14.
Ranasinghe, Duminda S., Michael J. Frisch, & George A. Petersson. (2015). Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar. The Journal of Chemical Physics. 143(21). 214110–214110. 17 indexed citations
15.
Ranasinghe, Duminda S., Michael J. Frisch, & George A. Petersson. (2015). A density functional for core-valence correlation energy. The Journal of Chemical Physics. 143(21). 214111–214111. 6 indexed citations
16.
Frisch, Michael J., et al.. (2012). Asymmetrical Parasitic Inductance Utilized for Switching Loss Reduction in Power Modules. 1–6. 1 indexed citations
17.
Petersson, George A., et al.. (2012). A Density Functional with Spherical Atom Dispersion Terms. Journal of Chemical Theory and Computation. 8(12). 4989–5007. 492 indexed citations breakdown →
18.
Frisch, Michael J., et al.. (2010). Power module with additional low inductive current path. 1–6. 7 indexed citations
19.
Bene, Janet E. Del & Michael J. Frisch. (2009). An ab initio study of the structures and stabilities of the complexes of the bases N2O, CO2, and CO with the acids FH, H+, and Li+. International Journal of Quantum Chemistry. 36(S23). 371–380. 3 indexed citations
20.
Vreven, Thom, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, & Michael J. Frisch. (2003). Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. Journal of Computational Chemistry. 24(6). 760–769. 518 indexed citations breakdown →

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