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
105 2013 Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination PL Polavarapu, CL Covington
Chirality 26 (9), 539-552, 2014
100 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
63 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
51 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
39 2015 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
37 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
34 2016 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
33 2014 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
25 2022 Exponential integrators in time-dependent density-functional calculations D Kidd, C Covington, K Varga
Physical Review E 96 (6), 063307, 2017
23 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
22 2021 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
21 2017 Time-dependent density-functional-theory investigation of the collisions of protons and particles with uracil and adenine C Covington, K Hartig, A Russakoff, R Kulpins, K Varga
Physical Review A 95 (5), 052701, 2017
20 2017 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
16 2016 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 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 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 CDSpecTech: Computer programs for calculating similarity measures for experimental and calculated dissymmetry factors and circular intensity differentials CL Covington, PL Polavarapu
13 2016