Krishnan Raghavachari

60.2k total citations · 26 hit papers
401 papers, 52.6k citations indexed

About

Krishnan Raghavachari is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Organic Chemistry. According to data from OpenAlex, Krishnan Raghavachari has authored 401 papers receiving a total of 52.6k indexed citations (citations by other indexed papers that have themselves been cited), including 199 papers in Atomic and Molecular Physics, and Optics, 174 papers in Materials Chemistry and 123 papers in Organic Chemistry. Recurrent topics in Krishnan Raghavachari's work include Advanced Chemical Physics Studies (175 papers), Spectroscopy and Quantum Chemical Studies (51 papers) and Semiconductor materials and devices (40 papers). Krishnan Raghavachari is often cited by papers focused on Advanced Chemical Physics Studies (175 papers), Spectroscopy and Quantum Chemical Studies (51 papers) and Semiconductor materials and devices (40 papers). Krishnan Raghavachari collaborates with scholars based in United States, Germany and Japan. Krishnan Raghavachari's co-authors include John A. Pople, Larry A. Curtiss, Gary W. Trucks, Martin Head‐Gordon, Paul C. Redfern, Yves J. Chabal, Vitaly A. Rassolov, Celeste McMichael Rohlfing, Anwar G. Baboul and G. S. Higashi and has published in prestigious journals such as Nature, Science and Chemical Reviews.

In The Last Decade

Krishnan Raghavachari

396 papers receiving 51.3k 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.

A fifth-order perturbation comparison of electron correlation theories

1989 7.4k citations Krishnan Raghavachari et al. profile →
Quadratic configuration interaction. A general technique for determining electron correlation energies

1987 4.1k citations Krishnan Raghavachari et al. profile →
Gaussian-2 theory for molecular energies of first- and second-row compounds

1991 3.1k citations Krishnan Raghavachari et al. profile →
Gaussian-3 (G3) theory for molecules containing first and second-row atoms

1998 2.5k citations Krishnan Raghavachari et al. profile →
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

1997 1.9k citations Krishnan Raghavachari et al. profile →
Gaussian-4 theory

2007 1.8k citations Krishnan Raghavachari et al. profile →
Gaussian-3 theory using density functional geometries and zero-point energies

1999 1.6k citations Krishnan Raghavachari et al. profile →
Gaussian-1 theory: A general procedure for prediction of molecular energies

1989 1.3k citations Krishnan Raghavachari et al. profile →
Gaussian-2 theory using reduced Mo/ller–Plesset orders

1993 1.2k citations Krishnan Raghavachari et al. profile →
Ideal hydrogen termination of the Si (111) surface

1990 1.2k citations Krishnan Raghavachari et al. profile →
Gaussian-3 theory using reduced Mo/ller-Plesset order

1999 1.1k citations Krishnan Raghavachari et al. profile →
Highly correlated systems. Excitation energies of first row transition metals Sc–Cu

1989 974 citations Krishnan Raghavachari et al. profile →
Assessment of Gaussian-3 and density functional theories for a larger experimental test set

2000 637 citations Krishnan Raghavachari et al. profile →
Gaussian-1 theory of molecular energies for second-row compounds

1990 606 citations Krishnan Raghavachari et al. profile →
Gaussian-4 theory using reduced order perturbation theory

2007 602 citations Krishnan Raghavachari et al. profile →
Structure, stability, and fragmentation of small carbon clusters

1987 568 citations Krishnan Raghavachari et al. profile →
Electronic structure and bonding in icosahedral C60

1986 505 citations Krishnan Raghavachari et al. profile →
Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities

1998 494 citations Krishnan Raghavachari et al. profile →
Size-consistent Brueckner theory limited to double substitutions

1989 460 citations Krishnan Raghavachari et al. profile →
Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets

2001 459 citations Krishnan Raghavachari et al. profile →
Theoretical study of small silicon clusters: Equilibrium geometries and electronic structures of Sin (n=2–7,10)

1986 435 citations Krishnan Raghavachari profile →
Superconductivity in the Fullerenes

1991 432 citations Krishnan Raghavachari et al. profile →
Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si1

1988 416 citations Krishnan Raghavachari et al. profile →
Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlation

1981 303 citations Krishnan Raghavachari et al. Journal of the American Chemical Society profile →
Fifth order Moeller-Plesset perturbation theory: comparison of existing correlation methods and implementation of new methods correct to fifth order

1990 279 citations Krishnan Raghavachari et al. profile →
Comprehensive theoretical study of isomers and rearrangement barriers of even-electron polyatomic molecules HmABHn (A, B = carbon, nitrogen, oxygen, and fluorine)

1983 199 citations Krishnan Raghavachari et al. Journal of the American Chemical Society profile →

Peers

Countries citing papers authored by Krishnan Raghavachari

Since Specialization

Citations

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

Fields of papers citing papers by Krishnan Raghavachari

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Krishnan Raghavachari

This figure shows the co-authorship network connecting the top 25 collaborators of Krishnan Raghavachari. A scholar is included among the top collaborators of Krishnan Raghavachari 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 Krishnan Raghavachari. Krishnan Raghavachari 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

#	Work	Indexed citations
1	Bambusuril Small-Molecule Ionic Isolation Lattices for Exciton Coupled Dimers and Dicationic Fluorophores 2025 ·Journal of the American Chemical Society ·(unknown), (unknown), Nobuyuki Yamamoto, (unknown), (unknown), (unknown), (unknown), Krishnan Raghavachari, Grace G. D. Han, Bo W. Laursen, Amar H. Flood	0
2	Combining molecular fragmentation and machine learning for accurate prediction of adiabatic ionization potentials 2025 ·Pure and Applied Chemistry ·(unknown), (unknown), Surya Sekhar Manna, Krishnan Raghavachari	1
3	Computer-aided design of triazolo-cages as anion receptors 2025 ·Physical Chemistry Chemical Physics ·(unknown), (unknown), Amar H. Flood, Krishnan Raghavachari	0
4	Extracting recalcitrant redox data on fluorophores to pair with optical data for predicting small-molecule, ionic isolation lattices 2024 ·Digital Discovery ·(unknown), (unknown), (unknown), (unknown), Bo W. Laursen, Sudhakar Pamidighantam, Krishnan Raghavachari, Amar H. Flood	2
5	Accelerated Computer-Aided Screening of Optical Materials: Investigating the Potential of Δ-SCF Methods to Predict Emission Maxima of Large Dye Molecules 2024 ·The Journal of Physical Chemistry A ·(unknown), Amar H. Flood, Krishnan Raghavachari	0
6	Selective Electrocatalyzed Reduction of CO₂ to Formate by Mononuclear Mo(Diimine)(CO)₄ Complexes 2023 ·ChemCatChem ·(unknown), (unknown), (unknown), Krishnan Raghavachari, Liang‐shi Li	2
7	Accurate and Cost-Effective NMR Chemical Shift Predictions for Nucleic Acids Using a Molecules-in-Molecules Fragmentation-Based Method 2023 ·Journal of Chemical Theory and Computation ·(unknown), Krishnan Raghavachari	10
8	MIM-ML: A Novel Quantum Chemical Fragment-Based Random Forest Model for Accurate Prediction of NMR Chemical Shifts of Nucleic Acids 2023 ·Journal of Chemical Theory and Computation ·(unknown), Krishnan Raghavachari	10
9	Development and assessment of a ChemInformatics model for accurate pKa prediction in aqueous medium 2023 ·Theoretical Chemistry Accounts ·(unknown), Krishnan Raghavachari	1
10	Proton-Coupled, Low-Energy Pathway for Electrocatalytic CO₂ Reduction at Re(Diimine) Complexes with a Conjugated Pyrazinyl Moiety 2022 ·Inorganic Chemistry ·(unknown), (unknown), (unknown), Lu Liu, Krishnan Raghavachari, Liang‐shi Li	9
11	Direct Electrochemical Reduction of Acetochlor at Carbon and Silver Cathodes in Dimethylformamide 2020 ·Journal of The Electrochemical Society ·(unknown), Bishnu Thapa, Jonathan A. Karty, Krishnan Raghavachari, Lane A. Baker, Dennis G. Peters	8
12	G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon 2019 ·Journal of Chemical Theory and Computation ·Bun Chan, Amir Karton, Krishnan Raghavachari	37
13	Multi-state amine sensing by electron transfers in a BODIPY probe 2019 ·Organic & Biomolecular Chemistry ·(unknown), Yun Liu, Tumpa Sadhukhan, Christopher R. Benson, (unknown), Sündüs Erbaş-Çakmak, Bo Qiao, Xinfeng Gao, Maren Pink, Krishnan Raghavachari, Amar H. Flood	25
14	Amphiphile self-assembly dynamics at the solution-solid interface reveal asymmetry in head/tail desorption 2018 ·Chemical Communications ·(unknown), (unknown), (unknown), Daniel C. Ashley, (unknown), Brandon E. Hirsch, (unknown), Mu‐Hyun Baik, P. Ortoleva, Krishnan Raghavachari, Amar H. Flood, Steven L. Tait	8
15	Anion‐Binding Macrocycles Operate Beyond the Electrostatic Regime: Interaction Distances Matter 2018 ·Chemistry - A European Journal ·Arkajyoti Sengupta, Yun Liu, Amar H. Flood, Krishnan Raghavachari	39
16	Cooperative Formation of Icosahedral Proline Clusters from Dimers 2017 ·Journal of the American Society for Mass Spectrometry ·A. Jacobs, K. V. Jovan Jose, (unknown), Krishnan Raghavachari, Megan C. Thielges, David E. Clemmer	3
17	Anion Binding in Solution: Beyond the Electrostatic Regime 2017 ·Chem ·Yun Liu, Arkajyoti Sengupta, Krishnan Raghavachari, Amar H. Flood	149
18	From Atomic to Molecular Anions: A Neutral Receptor Captures Cyanide Using Strong CH Hydrogen Bonds 2011 ·Chemistry - A European Journal ·Raghunath O. Ramabhadran, Yuran Hua, Yongjun Li, Amar H. Flood, Krishnan Raghavachari	41
19	Aromatic and Aliphatic CH Hydrogen Bonds Fight for Chloride while Competing Alongside Ion Pairing within Triazolophanes 2010 ·Chemistry - A European Journal ·Yuran Hua, Raghunath O. Ramabhadran, (unknown), Jonathan A. Karty, Krishnan Raghavachari, Amar H. Flood	98
20	Phosphine Adsorption on the In-Rich InP(001) Surface: Evidence of Surface Dative Bonds at Room Temperature 2007 ·Langmuir ·Ujjal Das, Krishnan Raghavachari, Robyn L. Woo, Robert F. Hicks	5

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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