World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
76
Citations
51625
World Ranking
4156
National Ranking
1311

Overview

What is he best known for?

The fields of study he is best known for:

  • Organic chemistry
  • Quantum mechanics
  • Enzyme

His primary scientific interests are in Density functional theory, Computational chemistry, Ab initio, Molecular physics and Vibrational circular dichroism. He studies Basis set which is a part of Density functional theory. His Basis set research is multidisciplinary, incorporating elements of Hybrid functional, Atomic physics and Harmonic.

His Computational chemistry study combines topics from a wide range of disciplines, such as Polarizable continuum model, Spectral line and Benzene. His research in Ab initio intersects with topics in Dipole, Vibrational absorption and Circular dichroism spectra. His research integrates issues of Spectroscopy, Ferredoxin and Magnetic circular dichroism in his study of Vibrational circular dichroism.

His most cited work include:

  • Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields (13112 citations)
  • Magnetic Optical Activity (528 citations)
  • Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules (414 citations)

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

His primary areas of investigation include Vibrational circular dichroism, Circular dichroism, Crystallography, Computational chemistry and Density functional theory. Vibrational circular dichroism is a subfield of Spectral line that Philip J. Stephens investigates. Atomic physics is closely connected to Magnetic circular dichroism in his research, which is encompassed under the umbrella topic of Circular dichroism.

As a part of the same scientific family, Philip J. Stephens mostly works in the field of Computational chemistry, focusing on Ab initio and, on occasion, Infrared spectroscopy and Vibrational spectra. Philip J. Stephens works in the field of Density functional theory, focusing on Basis set in particular. His Basis set study combines topics in areas such as Hybrid functional and Dichroism.

He most often published in these fields:

  • Vibrational circular dichroism (51.38%)
  • Circular dichroism (34.40%)
  • Crystallography (27.52%)

What were the highlights of his more recent work (between 2001-2012)?

  • Vibrational circular dichroism (51.38%)
  • Absolute configuration (19.72%)
  • Density functional theory (24.77%)

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

Vibrational circular dichroism, Absolute configuration, Density functional theory, Computational chemistry and Spectroscopy are his primary areas of study. His Vibrational circular dichroism research is multidisciplinary, relying on both Infrared spectroscopy and Physical chemistry. He has included themes like Derivative, Ab initio and Chiral column chromatography, Enantiomer in his Absolute configuration study.

His work carried out in the field of Density functional theory brings together such families of science as Infrared, Optical rotation, Spectral line, Molecule and Chirality. His Spectral line research includes elements of Oxide and Gaussian. His specific area of interest is Computational chemistry, where Philip J. Stephens studies Basis set.

Between 2001 and 2012, his most popular works were:

  • Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules (414 citations)
  • ECD cotton effect approximated by the Gaussian curve and other methods. (341 citations)
  • The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy (263 citations)

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

  • Quantum mechanics
  • Organic chemistry
  • Enzyme

His main research concerns Optical rotation, Density functional theory, Absolute configuration, Computational chemistry and Time-dependent density functional theory. His Density functional theory research integrates issues from Polarizable continuum model, Polarizability and Acetonitrile. His Absolute configuration study integrates concerns from other disciplines, such as Crystallography, Vibrational circular dichroism, Circular dichroism, Thiophene and Ab initio.

His studies in Vibrational circular dichroism integrate themes in fields like Spectroscopy and Analytical chemistry. His Ab initio research focuses on Chirality and how it relates to Specific rotation. His Computational chemistry study incorporates themes from Benzene, Spectral line, Chloroform, Cyclohexane and Solvent effects.

Best Publications

  • Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

    P. J. Stephens;F. J. Devlin;C. F. Chabalowski;M. J. Frisch

  • Magnetic Optical Activity

    and A D Buckingham;P J Stephens

  • Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

    B. Mennucci;J. Tomasi;R. Cammi;J. R. Cheeseman

  • ECD cotton effect approximated by the Gaussian curve and other methods.

    Philip J. Stephens;Nobuyuki Harada

  • Theory of vibrational circular dichroism

    Philip J. Stephens

  • Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory

    J.R. Cheeseman;M.J. Frisch;F.J. Devlin;P.J. Stephens

  • Theory of Magnetic Circular Dichroism

    P. J. Stephens

  • Vibrational circular dichroism

    L. A. Nafie;T. A. Keiderling;P. J. Stephens

  • Calculation of Optical Rotation Using Density Functional Theory

    P. J. Stephens;F. J. Devlin;J. R. Cheeseman;M. J. Frisch

  • Magnetic Circular Dichroism

    P. J. Stephens

  • The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy

    Philip J. Stephens;Frank J. Devlin;Jian-Jung Pan

  • Protein Control of Redox Potentials of Iron−Sulfur Proteins

    P. J. Stephens;D. R. Jollie;A. Warshel

  • Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields: A Comparison of Local, Nonlocal, and Hybrid Density Functionals

    F. J. Devlin;J. W. Finley;P. J. Stephens;M. J. Frisch

  • Hartree−Fock and Density Functional Theory ab Initio Calculation of Optical Rotation Using GIAOs: Basis Set Dependence

    James R. Cheeseman;Michael J. Frisch;Frank J. Devlin;Philip J. Stephens

  • Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy

    P.J. Stephens;F.J. Devlin

  • Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?

    P.J. Stephens;D.M. McCann;J.R. Cheeseman;M.J. Frisch

  • Optical spectra of oxy- and deoxyhemoglobin

    William A. Eaton;Louise Karle Hanson;P. J. Stephens;J. C. Sutherland

  • Spectroscopic studies of stellacyanin, plastocyanin, and azurin. Electronic structure of the blue copper sites

    Edward I. Solomon;Jeffrey W. Hare;David M. Dooley;John H. Dawson

  • Gauge dependence of vibrational magnetic dipole transition moments and rotational strengths

    P. J. Stephens

  • Determination of absolute configuration using density functional theory calculations of optical rotation and electronic circular dichroism: chiral alkenes.

    McCann Dm;Stephens Pj

  • Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory

    P. J. Stephens;C. S. Ashvar;F. J. Devlin;J. R. Cheeseman

Frequent Co-Authors

Frank J. Devlin
Frank J. Devlin University of Southern California
Michael J. Frisch
Michael J. Frisch Gaussian Inc.
Roger D. Amos
Roger D. Amos Australian National University
Timothy A. Keiderling
Timothy A. Keiderling University of Illinois at Chicago
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Paolo Lazzeretti
Paolo Lazzeretti University of Salerno
Edward I. Solomon
Edward I. Solomon Stanford University
Riccardo Zanasi
Riccardo Zanasi University of Salerno
Harry B. Gray
Harry B. Gray California Institute of Technology
Carlo Rosini
Carlo Rosini University of Basilicata

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