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Physical Chemistry Chemical Physics : PCCP
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November 30, 2017
The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: interplay between conformational equilibria and vibronic effects
Daniele Padula, Javier Cerezo, Gennaro Pescitelli, et al.
Journal of the American Chemical Society
|
August 28, 2023
Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening
Ömer H Omar, Xiaoyu Xie, Alessandro Troisi, et al.
Journal of Chemical Theory and Computation
|
June 27, 2017
Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors
Rocco P Fornari, Patrick Rowe, Daniele Padula, et al.
The Journal of Physical Chemistry. B
|
October 10, 2017
Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics
Daniele Padula, Myeong H Lee, Kirsten Claridge, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 5, 2016
Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum
Daniele Padula, Sandro Jurinovich, Lorenzo Di Bari, et al.
Scientific Data
|
February 15, 2022
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds
Ömer H Omar, Tahereh Nematiaram, Alessandro Troisi, et al.
The Journal of Physical Chemistry. A
|
March 27, 2013
Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach
Daniele Padula, David Picconi, Alessandro Lami, et al.
Chirality
|
August 14, 2014
Magnetic circular dichroism of porphyrin lanthanide M3+ complexes
Valery Andrushchenko, Daniele Padula, Elena Zhivotova, et al.
The Journal of Organic Chemistry
|
June 13, 2008
A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: aliphatic diols as a case study
Sabina Tartaglia, Daniele Padula, Patrizia Scafato, et al.
Chirality
|
September 25, 2012
Analysis of the electronic circular dichroism spectrum of (-)-[9](2,5)Pyridinophane
Daniele Padula, Lorenzo Di Bari, Fabrizio Santoro, et al.
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of 5
Search research articles
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Showing results (11-20 of 48) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
November 30, 2017
The shape of the electronic circular dichroism spectrum of (2,6-dimethylphenyl)(phenyl)methanol: interplay between conformational equilibria and vibronic effects
Daniele Padula, Javier Cerezo, Gennaro Pescitelli, et al.
Journal of the American Chemical Society
|
August 28, 2023
Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening
Ömer H Omar, Xiaoyu Xie, Alessandro Troisi, et al.
Journal of Chemical Theory and Computation
|
June 27, 2017
Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic Semiconductors
Rocco P Fornari, Patrick Rowe, Daniele Padula, et al.
The Journal of Physical Chemistry. B
|
October 10, 2017
Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics
Daniele Padula, Myeong H Lee, Kirsten Claridge, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 5, 2016
Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum
Daniele Padula, Sandro Jurinovich, Lorenzo Di Bari, et al.
Scientific Data
|
February 15, 2022
Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds
Ömer H Omar, Tahereh Nematiaram, Alessandro Troisi, et al.
The Journal of Physical Chemistry. A
|
March 27, 2013
Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach
Daniele Padula, David Picconi, Alessandro Lami, et al.
Chirality
|
August 14, 2014
Magnetic circular dichroism of porphyrin lanthanide M3+ complexes
Valery Andrushchenko, Daniele Padula, Elena Zhivotova, et al.
The Journal of Organic Chemistry
|
June 13, 2008
A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: aliphatic diols as a case study
Sabina Tartaglia, Daniele Padula, Patrizia Scafato, et al.
Chirality
|
September 25, 2012
Analysis of the electronic circular dichroism spectrum of (-)-[9](2,5)Pyridinophane
Daniele Padula, Lorenzo Di Bari, Fabrizio Santoro, et al.
Page
of 5