Frank J. Devlin

30.7k citations

84 papers · 27.0k · 2 hit papers · h-index 44

Impact in

Spectroscopy top 0.02%
- Molecular spectroscopy and chirality
- Analytical Chemistry and Chromatography
Physical and Theoretical Chemistry top 0.05%
- Photochemistry and Electron Transfer Studies

Papers in

Spectroscopy 72
- Molecular spectroscopy and chirality 72
- Analytical Chemistry and Chromatography 14
Atomic and Molecular Physics, and Optics 57
- Spectroscopy and Quantum Chemical Studies 55
- Advanced Chemical Physics Studies 5

Co-authors: Philip J. Stephens (68 shared papers)Michael J. Frisch (20 shared papers)Cary F. Chabalowski (4 shared papers)James R. Cheeseman (17 shared papers)Jian‐Jung Pan (7 shared papers)Benedetta Mennucci (2 shared papers)J. Tomasi (2 shared papers)Phillip J. Stephens (12 shared papers)
Journals: Journal of the American Chemical Society (11 papers)The Journal of Organic Chemistry (9 papers)Chirality (8 papers)The Journal of Physical Chemistry A (8 papers)The Journal of Physical Chemistry (6 papers)
Partner nations: United States Italy France

In The Last Decade

Frank J. Devlin

83 papers receiving 26.3k citations

Frank J. Devlin's Hit Papers

align trajectories log scale

Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules 2002 · 667 citations

What are hit papers?

Paper score: A paper's citations measured against the top-1% bar of its own field and year: the square root of citations ÷ bar, so 1 means right at the bar and 2 means four times its citations. The bar blends the citation counts that enter the top 1% of the paper's subfields in its year (weighted 89.5%), of those subfields over all years (0.5%) and of its year across all fields (10%); a subfield and year with fewer than 400 papers takes its year's bar. Papers from 2026 are not scored yet: in an unfinished year, when a paper appeared matters more than how it is cited.

Hit paper: A paper cited at least 1.5× the top-1% bar of its field and year: a paper score of at least √1.5.

2002 The Journal of Physical Chemistry A
1994 The Journal of Physical Chemistry

Peers

Countries citing papers authored by Frank J. Devlin

Since Specialization

Citations

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

Fields of papers citing papers by Frank J. Devlin

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authors

The 25 scholars most cited alongside Frank J. Devlin, 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 Frank J. Devlin Line = papers co-authored together Frank J. Devlin links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

Showing the 20 most-cited of 84 papers — load more, or switch the sort, to bring in the rest.

#	Work
1	Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields The Journal of Physical Chemistry ·Philip J. Stephens, Frank J. Devlin, Cary F. Chabalowski, Michael J. Frisch Hit paper breakdown →	1994	20684
2	Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules The Journal of Physical Chemistry A ·Benedetta Mennucci, J. Tomasi, Roberto Cammi, James R. Cheeseman, Michael J. Frisch, Frank J. Devlin, Sven Gabriel, Philip J. Stephens Hit paper breakdown →	2002	667
3	Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory Chemical Physics Letters ·James R. Cheeseman, Michael J. Frisch, Frank J. Devlin, Philip J. Stephens	1996	422
4	Calculation of Optical Rotation Using Density Functional Theory The Journal of Physical Chemistry A ·Philip J. Stephens, Frank J. Devlin, James R. Cheeseman, Michael J. Frisch	2001	347
5	The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy Chirality ·Philip J. Stephens, Frank J. Devlin, Jian‐Jung Pan	2007	322
6	Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields: A Comparison of Local, Nonlocal, and Hybrid Density Functionals The Journal of Physical Chemistry ·Frank J. Devlin, J. W. Finley, Philip J. Stephens, Michael J. Frisch	1995	310
7	Hartree−Fock and Density Functional Theory ab Initio Calculation of Optical Rotation Using GIAOs: Basis Set Dependence The Journal of Physical Chemistry A ·James R. Cheeseman, Michael J. Frisch, Frank J. Devlin, Philip J. Stephens	2000	254
8	Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy Chirality ·Philip J. Stephens, Frank J. Devlin	2000	187
9	Theoretical calculation of vibrational circular dichroism spectra Faraday Discussions ·Philip J. Stephens, Frank J. Devlin, C. S. Ashvar, Cary F. Chabalowski, Michael J. Frisch	1994	162
10	Ab Initio Prediction of Vibrational Absorption and Circular Dichroism Spectra of Chiral Natural Products Using Density Functional Theory: α-Pinene The Journal of Physical Chemistry A ·Frank J. Devlin, Philip J. Stephens, James R. Cheeseman, Michael J. Frisch	1997	140
11	Coupled-cluster calculations of optical rotation Chemical Physics Letters ·Kenneth Ruud, Philip J. Stephens, Frank J. Devlin, Peter R. Taylor, James R. Cheeseman, Michael J. Frisch	2003	137
12	Determination of the Absolute Configuration of [32](1,4)Barrelenophanedicarbonitrile Using Concerted Time-Dependent Density Functional Theory Calculations of Optical Rotation and Electronic Circular Dichroism Journal of the American Chemical Society ·Philip J. Stephens, David Michael McCann, Frank J. Devlin, James R. Cheeseman, Michael J. Frisch	2004	126
13	Determination of absolute configuration using ab initio calculation of optical rotation Chirality ·Philip J. Stephens, Frank J. Devlin, James R. Cheeseman, Michael J. Frisch, Olga Bortolini, P. Besse-Hoggan Besse-Hoggan Pascale Pascale Besse	2003	125
14	Determination of Absolute Configuration Using Optical Rotation Calculated Using Density Functional Theory Organic Letters ·Philip J. Stephens, Frank J. Devlin, James R. Cheeseman, Michael J. Frisch, Carlo Rosini	2002	116
15	Determination of the Absolute Configuration of a Chiral Oxadiazol-3-one Calcium Channel Blocker, Resolved Using Chiral Chromatography, via Concerted Density Functional Theory Calculations of Its Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation The Journal of Organic Chemistry ·Philip J. Stephens, Frank J. Devlin, Francesco Gasparrini, Alessia Ciogli, Domenico Spinelli, Barbara Cosimelli	2007	111
16	Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Optical Rotation, Electronic Circular Dichroism, and Vibrational Circular Dichroism: The Cytotoxic Sesquiterpene Natural Products Quadrone, Suberosenone, Suberosanone, and Suberosenol A Acetate Journal of Natural Products ·Philip J. Stephens, David Michael McCann, Frank J. Devlin, Amos B. Smith	2006	104
17	Ab Initio Prediction of Vibrational Absorption and Circular Dichroism Spectra of Chiral Natural Products Using Density Functional Theory: Camphor and Fenchone The Journal of Physical Chemistry A ·Frank J. Devlin, Philip J. Stephens, James R. Cheeseman, Michael J. Frisch	1997	97
18	Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism and Optical Rotation: The Schizozygane Alkaloid Schizozygine The Journal of Organic Chemistry ·Philip J. Stephens, Jian‐Jung Pan, Frank J. Devlin, Marie Urbanová, Josef Hájíček	2007	96
19	Determination of Molecular Structure in Solution Using Vibrational Circular Dichroism Spectroscopy: the Supramolecular Tetramer of S -2,2‘-Dimethyl-Biphenyl-6,6‘-Dicarboxylic Acid Journal of the American Chemical Society ·Marie Urbanová, Vladimı́r Setnička, Frank J. Devlin, Philip J. Stephens	2005	91
20	Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin The Journal of Organic Chemistry ·Philip J. Stephens, Jian‐Jung Pan, Frank J. Devlin, Karsten Krohn, Tibor Kurtán	2007	91

About Frank J. Devlin

Frank J. Devlin is a scholar working on Spectroscopy, Atomic and Molecular Physics, and Optics, Organic Chemistry, Molecular Biology and Renewable Energy, Sustainability and the Environment, having authored 84 papers that have together received 27.0k indexed citations. Recurring topics across this work include Molecular spectroscopy and chirality (72 papers), Spectroscopy and Quantum Chemical Studies (55 papers), Axial and Atropisomeric Chirality Synthesis (19 papers), Protein Structure and Dynamics (18 papers), Analytical Chemistry and Chromatography (14 papers), Metalloenzymes and iron-sulfur proteins (6 papers), Phytochemistry and Biological Activities (6 papers) and Advanced Chemical Physics Studies (5 papers). The work is most often cited by research in Spectroscopy (7.1k citations), Physical and Theoretical Chemistry (3.5k citations), Organic Chemistry (9.4k citations), Inorganic Chemistry (4.1k citations) and Atomic and Molecular Physics, and Optics (8.2k citations). Frank J. Devlin has collaborated with scholars based in United States, Italy and France. Frequent co-authors include Philip J. Stephens, Michael J. Frisch, Cary F. Chabalowski, James R. Cheeseman, Jian‐Jung Pan, Benedetta Mennucci, J. Tomasi, Phillip J. Stephens, C. S. Ashvar and Roberto Cammi. Their work appears in journals such as Journal of the American Chemical Society, The Journal of Organic Chemistry, Chirality, The Journal of Physical Chemistry A and The Journal of Physical Chemistry.

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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Frank J. Devlin

Frank J. Devlin's Hit Papers

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