Gerald Knizia

13.6k total citations · 6 hit papers
43 papers, 11.0k citations indexed

About

Gerald Knizia is a scholar working on Atomic and Molecular Physics, and Optics, Organic Chemistry and Spectroscopy. According to data from OpenAlex, Gerald Knizia has authored 43 papers receiving a total of 11.0k indexed citations (citations by other indexed papers that have themselves been cited), including 22 papers in Atomic and Molecular Physics, and Optics, 12 papers in Organic Chemistry and 10 papers in Spectroscopy. Recurrent topics in Gerald Knizia's work include Advanced Chemical Physics Studies (20 papers), Spectroscopy and Quantum Chemical Studies (11 papers) and Catalytic Alkyne Reactions (6 papers). Gerald Knizia is often cited by papers focused on Advanced Chemical Physics Studies (20 papers), Spectroscopy and Quantum Chemical Studies (11 papers) and Catalytic Alkyne Reactions (6 papers). Gerald Knizia collaborates with scholars based in Germany, United States and Netherlands. Gerald Knizia's co-authors include Hans‐Joachim Werner, Thomas B. Adler, Frederick R. Manby, Peter J. Knowles, Martin Schütz, Johannes E. M. N. Klein, Garnet Kin‐Lic Chan, Toru Shiozaki, K. R. Shamasundar and Johannes Kästner and has published in prestigious journals such as Physical Review Letters, Angewandte Chemie International Edition and The Journal of Chemical Physics.

In The Last Decade

Gerald Knizia

43 papers receiving 10.9k citations

Hit Papers

5 papers align trajectories

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.

Molpro: a general‐purpose quantum chemistry program package

2011 3.1k citations Hans‐Joachim Werner, Peter J. Knowles et al. Wiley Interdisciplinary Reviews Computational Molecular Science profile →
Simplified CCSD(T)-F12 methods: Theory and benchmarks

2009 1.7k citations Gerald Knizia, Hans‐Joachim Werner et al. The Journal of Chemical Physics profile →
A simple and efficient CCSD(T)-F12 approximation

2007 1.7k citations Gerald Knizia, Hans‐Joachim Werner et al. The Journal of Chemical Physics profile →
Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts

2013 847 citations Gerald Knizia Journal of Chemical Theory and Computation profile →
Electron Flow in Reaction Mechanisms—Revealed from First Principles

2015 406 citations Gerald Knizia, Johannes E. M. N. Klein Angewandte Chemie International Edition profile →
Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory

2012 368 citations Gerald Knizia, Garnet Kin‐Lic Chan Physical Review Letters profile →

Peers

Gerald Knizia

AMPO

SPECT

Mihály Kállay Hungary

Wesley D. Allen United States

Frederick R. Manby United Kingdom

Angela K. Wilson United States

Martin Schütz Germany

G. Barney Ellison United States

Jozef Noga Slovakia

Sotiris S. Xantheas United States

Ludwik Adamowicz United States

Krzysztof Szalewicz United States

Mihály Kállay Hungary

Gerald Knizia

6.4k ×0.9

AMPO

2.4k ×0.8

SPECT

1.8k ×0.8

2.1k ×0.9

1.6k ×0.7

Citations per year, relative to Gerald Knizia Gerald Knizia (= 1×) peers Mihály Kállay

Countries citing papers authored by Gerald Knizia

Since Specialization

Citations

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

Fields of papers citing papers by Gerald Knizia

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Gerald Knizia. 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 Gerald Knizia. The network helps show where Gerald Knizia may publish in the future.

Co-authorship network of co-authors of Gerald Knizia

This figure shows the co-authorship network connecting the top 25 collaborators of Gerald Knizia. A scholar is included among the top collaborators of Gerald Knizia 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 Gerald Knizia. Gerald Knizia is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Senjean, Bruno, et al.. (2021). Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors. Journal of Chemical Theory and Computation. 17(3). 1337–1354. 27 indexed citations

Knizia, Gerald, et al.. (2020). Molecular integrals from Fast Fourier Transforms (FFT) instead of recurrences: The McMurchie–Davidson case. The Journal of Chemical Physics. 152(23). 231103–231103. 2 indexed citations

Klein, Johannes E. M. N., Gerald Knizia, & Henry S. Rzepa. (2019). Epoxidation of Alkenes by Peracids: From Textbook Mechanisms to a Quantum Mechanically Derived Curly‐Arrow Depiction. ChemistryOpen. 8(10). 1244–1250. 10 indexed citations

Knizia, Gerald, et al.. (2019). σ‐Noninnocence: Masked Phenyl‐Cation Transfer at Formal Ni^IV. Angewandte Chemie. 131(37). 13267–13273. 8 indexed citations

Comprido, Laura Nunes dos Santos, Gerald Knizia, A. Stephen K. Hashmi, et al.. (2019). Cover Feature: Cationic Gold(I) Diarylallenylidene Complexes: Bonding Features and Ligand Effects (ChemPhysChem 13/2019). ChemPhysChem. 20(13). 1662–1662. 2 indexed citations

Knizia, Gerald, et al.. (2019). σ‐Noninnocence: Masked Phenyl‐Cation Transfer at Formal Ni^IV. Angewandte Chemie International Edition. 58(37). 13133–13139. 40 indexed citations

Klein, Johannes E. M. N. & Gerald Knizia. (2018). cPCET versus HAT: A Direct Theoretical Method for Distinguishing X–H Bond‐Activation Mechanisms. Angewandte Chemie. 130(37). 12089–12093. 20 indexed citations

Klein, Johannes E. M. N., Remco W. A. Havenith, & Gerald Knizia. (2018). The Pentagonal‐Pyramidal Hexamethylbenzene Dication: Many Shades of Coordination Chemistry at Carbon. Chemistry - A European Journal. 24(47). 12340–12345. 23 indexed citations

Klein, Johannes E. M. N. & Gerald Knizia. (2018). cPCET versus HAT: A Direct Theoretical Method for Distinguishing X–H Bond‐Activation Mechanisms. Angewandte Chemie International Edition. 57(37). 11913–11917. 99 indexed citations

10.

Klein, Johannes E. M. N., Gerald Knizia, Laura Nunes dos Santos Comprido, Johannes Kästner, & A. Stephen K. Hashmi. (2017). C(sp³)−H Bond Activation by Vinylidene Gold(I) Complexes: A Concerted Asynchronous or Stepwise Process?. Chemistry - A European Journal. 23(63). 16097–16103. 31 indexed citations

11.

Győrffy, Werner, Gerald Knizia, & Hans‐Joachim Werner. (2017). Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory. The Journal of Chemical Physics. 147(21). 214101–214101. 21 indexed citations

12.

Comprido, Laura Nunes dos Santos, Johannes E. M. N. Klein, Gerald Knizia, Johannes Kästner, & A. Stephen K. Hashmi. (2017). On the Accessible Reaction Channels of Vinyl Gold(I) Species: π‐ and σ‐Pathways. Chemistry - A European Journal. 23(45). 10901–10905. 47 indexed citations

13.

Ching, Wei‐Min, Johannes E. M. N. Klein, Ruixi Fan, et al.. (2017). Characterization of the Fleeting Hydroxoiron(III) Complex of the Pentadentate TMC-py Ligand. Inorganic Chemistry. 56(18). 11129–11140. 29 indexed citations

14.

Knizia, Gerald & Johannes E. M. N. Klein. (2015). Electron Flow in Reaction Mechanisms—Revealed from First Principles. Angewandte Chemie International Edition. 54(18). 5518–5522. 406 indexed citations breakdown →

15.

Comprido, Laura Nunes dos Santos, Johannes E. M. N. Klein, Gerald Knizia, Johannes Kästner, & A. Stephen K. Hashmi. (2015). The Stabilizing Effects in Gold Carbene Complexes. Angewandte Chemie International Edition. 54(35). 10336–10340. 107 indexed citations

16.

Comprido, Laura Nunes dos Santos, Johannes E. M. N. Klein, Gerald Knizia, Johannes Kästner, & A. Stephen K. Hashmi. (2015). Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to π‐Backbond. Chemistry - A European Journal. 22(9). 2892–2895. 65 indexed citations

17.

Klein, Johannes E. M. N., B. Miehlich, Michael S. Holzwarth, et al.. (2014). The Electronic Ground State of [Fe(CO)₃(NO)]⁻: A Spectroscopic and Theoretical Study. Angewandte Chemie International Edition. 53(7). 1790–1794. 63 indexed citations

18.

Knizia, Gerald & Garnet Kin‐Lic Chan. (2012). Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory. Physical Review Letters. 109(18). 186404–186404. 368 indexed citations breakdown →

19.

Werner, Hans‐Joachim, Peter J. Knowles, Gerald Knizia, Frederick R. Manby, & Martin Schütz. (2011). Molpro: a general‐purpose quantum chemistry program package. Wiley Interdisciplinary Reviews Computational Molecular Science. 2(2). 242–253. 3101 indexed citations breakdown →

20.

Botschwina, Peter, Rainer Oswald, Gerald Knizia, & Hans‐Joachim Werner. (2009). High-level Ab-initio Calculations for Astrochemically Relevant Polyynes (HC_2nH), their Isomers (C_2nH₂) and their Anions (C_2nH⁻). Zeitschrift für Physikalische Chemie. 223(4-5). 447–460. 5 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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