F. J. Devlin
Publications by Year
Research Areas
Molecular spectroscopy and chirality, Spectroscopy and Quantum Chemical Studies, Protein Structure and Dynamics, Axial and Atropisomeric Chirality Synthesis, Analytical Chemistry and Chromatography
Most-Cited Works
- → Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields(1994)22,660 cited
- → Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules(2002)741 cited
- → Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory(1996)451 cited
- → Calculation of Optical Rotation Using Density Functional Theory(2001)378 cited
- → The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy(2007)353 cited
- → Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields: A Comparison of Local, Nonlocal, and Hybrid Density Functionals(1995)327 cited
- → Hartree−Fock and Density Functional Theory ab Initio Calculation of Optical Rotation Using GIAOs: Basis Set Dependence(2000)285 cited
- → Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy(2000)219 cited
- → VCD Spectroscopy for Organic Chemists(2012)185 cited
- → Theoretical calculation of vibrational circular dichroism spectra(1994)178 cited