What is he best known for?
The fields of study he is best known for:
- Enzyme
- Stereochemistry
- Redox
Frank J. Devlin mostly deals with Density functional theory, Ab initio, Computational chemistry, Optical rotation and Molecular physics.
His Density functional theory research is mostly focused on the topic Basis set.
His study explores the link between Basis set and topics such as Atomic physics that cross with problems in Force field.
He integrates Ab initio and Dipole in his studies.
His biological study deals with issues like Vibrational circular dichroism, which deal with fields such as Vibrational spectra.
Frank J. Devlin combines subjects such as Analytical chemistry, Vibrational absorption and Circular dichroism spectra with his study of Molecular physics.
His most cited work include:
- Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields (13112 citations)
- Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules (414 citations)
- Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory (333 citations)
What are the main themes of his work throughout his whole career to date?
The scientist’s investigation covers issues in Vibrational circular dichroism, Density functional theory, Absolute configuration, Ab initio and Computational chemistry.
His research investigates the link between Vibrational circular dichroism and topics such as Physical chemistry that cross with problems in Chirality.
His study in the field of Basis set also crosses realms of Optical rotation and Oxide.
His research links Hybrid functional with Basis set.
His work deals with themes such as Chiral column chromatography and Enantiomer, which intersect with Absolute configuration.
As part of his studies on Atomic physics, Frank J. Devlin often connects relevant subjects like Force field.
He most often published in these fields:
- Vibrational circular dichroism (62.65%)
- Density functional theory (45.78%)
- Absolute configuration (40.96%)
What were the highlights of his more recent work (between 2006-2016)?
- Vibrational circular dichroism (62.65%)
- Absolute configuration (40.96%)
- Density functional theory (45.78%)
In recent papers he was focusing on the following fields of study:
His primary areas of investigation include Vibrational circular dichroism, Absolute configuration, Density functional theory, Spectroscopy and Physical chemistry.
His Absolute configuration study incorporates themes from Chiral column chromatography and Enantiomer.
Frank J. Devlin applies his multidisciplinary studies on Density functional theory and Optical rotation in his research.
Frank J. Devlin incorporates a variety of subjects into his writings, including Spectroscopy, Ab initio and Enantiomeric excess.
His Physical chemistry research includes themes of Chiral resolution, Resolution and Photochemistry.
His work on Gaussian and Basis set as part of general Computational chemistry research is frequently linked to Chromium, thereby connecting diverse disciplines of science.
Between 2006 and 2016, his most popular works were:
- The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy (263 citations)
- 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. (96 citations)
- 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. (71 citations)
In his most recent research, the most cited papers focused on:
- Enzyme
- Stereochemistry
- Benzene
Frank J. Devlin focuses on Absolute configuration, Vibrational circular dichroism, Density functional theory, Optical rotation and Computational chemistry.
While working on this project, Frank J. Devlin studies both Absolute configuration and Ab initio.
His Ab initio research encompasses a variety of disciplines, including Spectroscopy, Derivative, Molecular orbital theory and Supramolecular chemistry.
His work blends Computational chemistry and Amine gas treating studies together.
His studies deal with areas such as Chiral column chromatography and Analytical chemistry as well as Crystallography.
His study in Physical chemistry is interdisciplinary in nature, drawing from both Time-dependent density functional theory and Chirality, Acetal, Stereochemistry.
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