D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 96 Citations 59,179 360 World Ranking 598 National Ranking 278

Research.com Recognitions

Awards & Achievements

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

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

Krishnan Raghavachari mainly focuses on Atomic physics, Electronic correlation, Molecule, Electronic structure and Computational chemistry. His Atomic physics study incorporates themes from Ab initio, Electronegativity, Basis set and Ionization energy. Krishnan Raghavachari specializes in Electronic correlation, namely Quadratic configuration interaction.

His study in Molecule is interdisciplinary in nature, drawing from both Chemical physics, Fragment, Standard enthalpy of formation and Singlet state. Krishnan Raghavachari has included themes like Ab initio quantum chemistry methods, Molecular physics, Energy, Excitation and Ground state in his Electronic structure study. His studies in Computational chemistry integrate themes in fields like Mathematical physics, Statistical physics, Zero-point energy and Triatomic molecule.

His most cited work include:

  • A fifth-order perturbation comparison of electron correlation theories (5794 citations)
  • Quadratic configuration interaction. A general technique for determining electron correlation energies (3389 citations)
  • Gaussian-2 theory for molecular energies of first- and second-row compounds (2501 citations)

What are the main themes of his work throughout his whole career to date?

Computational chemistry, Molecule, Electronic correlation, Atomic physics and Ab initio are his primary areas of study. His work carried out in the field of Computational chemistry brings together such families of science as Bond length, Inorganic compound, Thermochemistry, Molecular physics and Binding energy. His research in Molecule intersects with topics in Chemical physics, Crystallography, Standard enthalpy of formation, Fragmentation and Density functional theory.

Krishnan Raghavachari has researched Electronic correlation in several fields, including Configuration interaction, Gaussian orbital, Perturbation theory and Diatomic molecule. His Atomic physics study which covers Electronic structure that intersects with Electronegativity. The Ab initio study combines topics in areas such as Molecular orbital theory, Molecular orbital, Physical chemistry, Ground state and Infrared spectroscopy.

He most often published in these fields:

  • Computational chemistry (23.04%)
  • Molecule (22.33%)
  • Electronic correlation (16.39%)

What were the highlights of his more recent work (between 2013-2021)?

  • Molecule (22.33%)
  • Density functional theory (11.88%)
  • Computational chemistry (23.04%)

In recent papers he was focusing on the following fields of study:

Krishnan Raghavachari mostly deals with Molecule, Density functional theory, Computational chemistry, Chemical physics and Crystallography. His Molecule research includes themes of Biomolecule, Molecular physics, Fragmentation and Intramolecular force. His Molecular physics research includes elements of Extrapolation and Analytical chemistry.

His Density functional theory research integrates issues from Hydrogen, Ethylene, Photochemistry, Reactivity and Implicit solvation. Particularly relevant to Spin contamination is his body of work in Computational chemistry. The study incorporates disciplines such as Inorganic chemistry, Cluster, Hydrogen bond, Ion and Oxidation state in addition to Crystallography.

Between 2013 and 2021, his most popular works were:

  • Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules (120 citations)
  • Anions Stabilize Each Other inside Macrocyclic Hosts (55 citations)
  • Well-Defined Nanographene–Rhenium Complex as an Efficient Electrocatalyst and Photocatalyst for Selective CO2 Reduction (51 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Organic chemistry
  • Molecule

Krishnan Raghavachari spends much of his time researching Molecule, Computational chemistry, Inorganic chemistry, Fragmentation and Density functional theory. His Molecule research is multidisciplinary, incorporating perspectives in Chemical physics, Tensor, Spectral line, Vibrational circular dichroism and Molecular physics. His Vibrational circular dichroism research incorporates themes from Projection, Atom and Atomic physics.

The concepts of his Molecular physics study are interwoven with issues in Intramolecular force and Analytical chemistry. His research integrates issues of Conformational isomerism, Organic reaction and Raman optical activity in his study of Computational chemistry. His work in Fragmentation covers topics such as Dimer which are related to areas like Pentamer and Basis set.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

A fifth-order perturbation comparison of electron correlation theories

Krishnan Raghavachari;Gary W. Trucks;John A. Pople;Martin Head-Gordon.
Chemical Physics Letters (1989)

7764 Citations

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

John A. Pople;Martin Head‐Gordon;Krishnan Raghavachari.
Journal of Chemical Physics (1987)

4887 Citations

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

Larry A. Curtiss;Krishnan Raghavachari;Gary W. Trucks;John A. Pople.
Journal of Chemical Physics (1991)

3987 Citations

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

Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;Vitaly Rassolov.
Journal of Chemical Physics (1998)

3092 Citations

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.
Journal of Chemical Physics (1997)

2336 Citations

Ideal hydrogen termination of the Si (111) surface

G. S. Higashi;Y. J. Chabal;G. W. Trucks;Krishnan Raghavachari.
Applied Physics Letters (1990)

1860 Citations

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

John A. Pople;Martin Head‐Gordon;Douglas J. Fox;Krishnan Raghavachari.
Journal of Chemical Physics (1989)

1849 Citations

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

Anwar G. Baboul;Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari.
Journal of Chemical Physics (1999)

1778 Citations

Gaussian-4 theory

Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari.
Journal of Chemical Physics (2007)

1667 Citations

Gaussian-2 theory using reduced Moller--Plesset orders

Larry A. Curtiss;Krishnan Raghavachari;John A. Pople.
Journal of Chemical Physics (1993)

1535 Citations

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