Similarity in dissymmetry factor spectra: a quantitative measure of comparison between experimental and predicted vibrational circular dichroism CL Covington, PL Polavarapu
The Journal of Physical Chemistry A 117 (16), 3377-3386, 2013
102 2013 Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination PL Polavarapu, CL Covington
Chirality 26 (9), 539-552, 2014
91 2014 Structure and stereochemical determination of hypogeamicins from a cave-derived actinomycete DK Derewacz, CR McNees, G Scalmani, CL Covington, G Shanmugam, ...
Journal of natural products 77 (8), 1759-1763, 2014
57 2014 Determination of the absolute configurations using exciton chirality method for vibrational circular dichroism: right answers for the wrong reasons? CL Covington, VP Nicu, PL Polavarapu
The Journal of Physical Chemistry A 119 (42), 10589-10601, 2015
49 2015 CDSpecTech: A single software suite for multiple chiroptical spectroscopic analyses CL Covington, PL Polavarapu
Chirality 29 (5), 178-192, 2017
45 2017 Absolute configuration of (−)-Centratherin, a sesquiterpenoid lactone, defined by means of chiroptical spectroscopy FMS Junior, CL Covington, ACF de Albuquerque, JFR Lobo, RM Borges, ...
Journal of natural products 78 (11), 2617-2623, 2015
36 2015 Absolute configuration of a rare sesquiterpene:(+)-3-ishwarone FMS Junior, CL Covington, MB de Amorim, LSM Velozo, MAC Kaplan, ...
Journal of natural products 77 (8), 1881-1886, 2014
34 2014 Enhanced ionisation of polyatomic molecules in intense laser pulses is due to energy upshift and field coupling of multiple orbitals S Erattupuzha, CL Covington, A Russakoff, E Lötstedt, S Larimian, ...
Journal of Physics B: Atomic, Molecular and Optical Physics 50 (12), 125601, 2017
32 2017 Atropoisomerism in biflavones: the absolute configuration of (−)-agathisflavone via chiroptical spectroscopy CL Covington, FMS Junior, JHS Silva, RM Kuster, MB de Amorim, ...
Journal of natural products 79 (10), 2530-2537, 2016
32 2016 Exponential integrators in time-dependent density-functional calculations D Kidd, C Covington, K Varga
Physical Review E 96 (6), 063307, 2017
23 2017 To avoid chasing incorrect chemical structures of chiral compounds: Raman optical activity and vibrational circular dichroism spectroscopies PL Polavarapu, CL Covington, V Raghavan
ChemPhysChem 18 (18), 2459-2465, 2017
20 2017 How important are the intermolecular hydrogen bonding interactions in methanol solvent for interpreting the chiroptical properties? PL Polavarapu, E Santoro, CL Covington, JL Johnson, AR Puente, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 247, 119094, 2021
17 2021 Asymmetric Sequential Cu‐Catalyzed 1, 6/1, 4‐Conjugate Additions of Hard Nucleophiles to Cyclic Dienones: Determination of Absolute Configurations and Origins of Enantioselectivity C Blons, MST Morin, TE Schmid, T Vives, S Colombel‐Rouen, O Baslé, ...
Chemistry–A European Journal 23 (31), 7515-7525, 2017
15 2017 Time-dependent density-functional-theory investigation of the collisions of protons and C Covington, K Hartig, A Russakoff, R Kulpins, K Varga
Physical Review A 95 (5), 052701, 2017
15 2017 Vibrational Raman optical activity of bicyclic terpenes: comparison between experimental and calculated vibrational Raman, Raman optical activity, and dimensionless circular … PL Polavarapu, CL Covington, K Chruszcz‐Lipska, G Zajac, M Baranska
Journal of Raman Spectroscopy 48 (2), 305-313, 2017
14 2017 Specific optical rotations and the Horeau effect CL Covington, PL Polavarapu
Chirality 28 (3), 181-185, 2016
14 2016 Solvation dependence observed in the electronic dissymmetry factor spectra: how much information are we missing by analyzing the circular dichroism spectra alone? CL Covington, PL Polavarapu
Physical Chemistry Chemical Physics 18 (20), 13912-13917, 2016
14 2016 Real-space, real-time approach to quantum-electrodynamical time-dependent density functional theory J Malave, A Ahrens, D Pitagora, C Covington, K Varga
The Journal of chemical physics 157 (19), 2022
13 2022 CDSpecTech: Computer programs for calculating similarity measures for experimental and calculated dissymmetry factors and circular intensity differentials CL Covington, PL Polavarapu
13 2020 Volkov basis for simulation of interaction of strong laser pulses and solids D Kidd, C Covington, Y Li, K Varga
Physical Review B 97 (2), 024303, 2018
13 2018 
Prasad L PolavarapuVanderbilt UniversityAdresse e-mail validée de vanderbilt.edu
