List of works - Daniele Padula

A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra.

scientific article published on 14 July 2015

A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: aliphatic diols as a case study

scientific article published on 12 June 2008

Analysis of the Electronic Circular Dichroism Spectrum of (−)-[9](2,5)Pyridinophane

scientific article published on 24 September 2012

Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics.

scientific article published on 9 October 2017

Diversonol and blennolide derivatives from the endophytic fungus Microdiplodia sp.: absolute configuration of diversonol.

scientific article

Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach

scientific article published on 15 April 2013

How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols

scientific article published on 9 January 2018

How fine-tuned for energy transfer is the environmental noise produced by proteins around biological chromophores?

scientific article published on 01 June 2018

Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors

scientific article published on 26 June 2017

Improved hemicryptophane hosts for the stereoselective recognition of glucopyranosides

scientific article published in 2014

Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study

scientific article published in January 2013

Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: absolute configuration, and their estrogenic and anti-proliferative activity.

scientific article published on 21 November 2012

Magnetic circular dichroism of porphyrin lanthanide M3+ complexes

scientific article published on 13 August 2014

On the arrangement of chromophores in light harvesting complexes: chance versus design

scientific article published on 01 December 2019

Remote Control of Helical Chirality: Thermodynamic Resolution of a Racemic Mixture of CTV Units by Remote Stereogenic Centers

scientific article published on 28 January 2015

Separation of Betti Reaction Product Enantiomers: Absolute Configuration and Inhibition of Botulinum Neurotoxin A

scientific article published on March 2011

Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum

scientific article

Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides

scientific article published on 11 December 2013

Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality

scientific article published on 13 June 2016

The "Case of Two Compounds with Similar Configuration but Nearly Mirror Image CD Spectra" Refuted. Reassignment of the Absolute Configuration of N-Formyl-3',4'-dihydrospiro[indan-1,2'(1'H)-pyridine].

scientific article published on 27 July 2016

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry

scientific article published in 2023

The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: interplay between conformational equilibria and vibronic effects.

scientific article published on 29 November 2017

Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells

article published in 2017

List of works by Daniele Padula