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.
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.
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.
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.
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.
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.
The Journal of Physical Chemistry (1994)
Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules
B. Mennucci;J. Tomasi;R. Cammi;J. R. Cheeseman.
Journal of Physical Chemistry A (2002)
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.
Chemical Physics Letters (1996)
Calculation of Optical Rotation Using Density Functional Theory
P. J. Stephens;F. J. Devlin;J. R. Cheeseman;M. J. Frisch.
Journal of Physical Chemistry A (2001)
The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy
Philip J. Stephens;Frank J. Devlin;Jian-Jung Pan.
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.
The Journal of Physical Chemistry (1995)
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.
Journal of Physical Chemistry A (2000)
Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy
P.J. Stephens;F.J. Devlin.
Ab Initio Prediction of Vibrational Absorption and Circular Dichroism Spectra of Chiral Natural Products Using Density Functional Theory: Camphor and Fenchone
F. J. Devlin;P. J. Stephens;J. R. Cheeseman;M. J. Frisch.
Journal of Physical Chemistry A (1997)
Theoretical calculation of vibrational circular dichroism spectra
P. J. Stephens;F. J. Devlin;C. S. Ashvar;C. F. Chabalowski.
Faraday Discussions (1994)
If you think any of the details on this page are incorrect, let us know.
We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below: