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Krishnan Raghavachari

Krishnan Raghavachari

D-Index & Metrics

Chemistry

D-Index
105
Citations
73197
World Ranking
978
National Ranking
390

Research.com Recognitions

  • 2019 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2001 - Fellow of American Physical Society (APS) Citation For outstanding contributions to the development of accurate electronic structure theories and for innovative investigations of the structures, spectroscopy, and reactivity of clusters and surfaces

Overview

Krishnan Raghavachari is affiliated with Indiana University in the United States and has an extensive publication record focusing primarily on chemistry and materials science. Their research contributions span 56 publications in chemistry and 54 in materials science, reflecting significant engagement with these fields.

Their work covers several subfields, notably materials chemistry, molecular biology, organic chemistry, spectroscopy, and atomic and molecular physics, including optics. This range indicates a multidisciplinary approach within the chemical sciences, highlighting intersections with biological and physical methods.

Key topics addressed in their research include computational drug discovery methods, machine learning applications in materials science, protein structure and dynamics, crystallization and solubility studies, x-ray diffraction techniques in crystallography, molecular sensors and ion detection, and advanced studies in chemical physics.

Frequent publication venues for their work include the Journal of Chemical Theory and Computation and The Journal of Physical Chemistry A, each with 11 papers, as well as The Cambridge Structural Database with 10 publications. Other venues include Physical Chemistry Chemical Physics and Zenodo (CERN European Organization for Nuclear Research).

Notable recent papers by Krishnan Raghavachari are:

  • "Plug-and-Play Optical Materials from Fluorescent Dyes and Macrocycles," 2020, Chem
  • "In-vitro and In-vivo Photocatalytic Cancer Therapy with Biocompatible Iridium(III) Photocatalysts," 2021, Angewandte Chemie International Edition
  • "Single-Cell Quantification of a Highly Biocompatible Dinuclear Iridium(III) Complex for Photocatalytic Cancer Therapy," 2022, Angewandte Chemie International Edition
  • "Photosensitized [2+2]-Cycloadditions of Alkenylboronates and Alkenes," 2022, Angewandte Chemie International Edition
  • "Applications of isodesmic-type reactions for computational thermochemistry," 2020, Wiley Interdisciplinary Reviews Computational Molecular Science

Collaboration has been a significant aspect of their research, with frequent co-authors including Amar H. Flood, Tumpa Sadhukhan, Bishnu Thapa, Sruthy K. Chandy, and Maren Pink.

Krishnan Raghavachari's contributions have been recognized through distinctions such as Fellow of the American Association for the Advancement of Science in 2019 and Fellow of the American Physical Society in 2001. Their APS fellowship citation specifically credits their work on developing accurate electronic structure theories and investigating the structures, spectroscopy, and reactivity of clusters and surfaces.

Best Publications

  • A fifth-order perturbation comparison of electron correlation theories

    Krishnan Raghavachari;Gary W. Trucks;John A. Pople;Martin Head-Gordon

  • Quadratic configuration interaction. A general technique for determining electron correlation energies

    John A. Pople;Martin Head‐Gordon;Krishnan Raghavachari

  • Gaussian-2 theory for molecular energies of first- and second-row compounds

    Larry A. Curtiss;Krishnan Raghavachari;Gary W. Trucks;John A. Pople

  • Gaussian-3 (G3) theory for molecules containing first and second-row atoms

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;Vitaly Rassolov

  • Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;John A. Pople

  • Gaussian-4 theory

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • GAUSSIAN-3 THEORY USING DENSITY FUNCTIONAL GEOMETRIES AND ZERO-POINT ENERGIES

    Anwar G. Baboul;Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • Gaussian‐1 theory: A general procedure for prediction of molecular energies

    John A. Pople;Martin Head‐Gordon;Douglas J. Fox;Krishnan Raghavachari

  • Ideal hydrogen termination of the Si (111) surface

    G. S. Higashi;Y. J. Chabal;G. W. Trucks;Krishnan Raghavachari

  • Gaussian-2 theory using reduced Moller--Plesset orders

    Larry A. Curtiss;Krishnan Raghavachari;John A. Pople

  • Gaussian-3 theory using reduced Mo/ller-Plesset order

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari;Vitaly Rassolov

  • Gaussian‐1 theory of molecular energies for second‐row compounds

    Larry A. Curtiss;Christopher Jones;Gary W. Trucks;Krishnan Raghavachari

  • Gaussian-4 theory using reduced order perturbation theory.

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari

  • Electronic structure and bonding in icosahedral C60

    R.C. Haddon;L.E. Brus;Krishnan Raghavachari

  • Infrared spectroscopy of Si(111) and Si(100) surfaces after HF treatment: Hydrogen termination and surface morphology

    Y. J. Chabal;G. S. Higashi;K. Raghavachari;V. A. Burrows

  • Assessment of Gaussian-3 and density functional theories for a larger experimental test set

    Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;John A. Pople

  • Structure, stability, and fragmentation of small carbon clusters

    Krishnan Raghavachari;J. S. Binkley

  • Gaussian-3X (G3X) theory : use of improved geometries, zero-point energies, and Hartree-Fock basis sets.

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari;John A. Pople

  • Size-consistent Brueckner theory limited to double substitutions

    Nicholas C. Handy;John A. Pople;Martin Head-Gordon;Krishnan Raghavachari

  • Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities

    Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari;John A. Pople

  • Highly correlated systems. Ionization energies of first row transition metals Sc–Zn

    Krishnan Raghavachari;Gary W. Trucks

Frequent Co-Authors

Yves J. Chabal
Yves J. Chabal The University of Texas at Dallas
Larry A. Curtiss
Larry A. Curtiss Argonne National Laboratory
John A. Pople
John A. Pople Stanford University
Amar H. Flood
Amar H. Flood Indiana University
Robert C. Haddon
Robert C. Haddon University of California, Riverside
Paul v. R. Schleyer
Paul v. R. Schleyer University of Georgia
Paul C. Redfern
Paul C. Redfern Argonne National Laboratory
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
George W. Flynn
George W. Flynn Columbia University
Howard E. Katz
Howard E. Katz Johns Hopkins University

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