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Journal of Molecular Modeling|October 29, 2024
Understanding and simulating mechanochromism in dye-dispersed polymer blends: from atomistic insights to macroscopic propertiesQinfan Wang, Alistar Ottochian, Michele Turelli, et al.
Chemical Science|October 14, 2024
Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperatureJia-Dong Guo, Feven-Alemu Korsaye, Dorian Schutz, et al.
American Journal of Physiology. Heart and Circulatory Physiology|February 5, 2013
Hydrogen sulfide in the mouse ductus arteriosus: a naturally occurring relaxant with potential EDHF functionBarbara Baragatti, Enrica Ciofini, Daria Sodini, et al.
Journal of Chemical Theory and Computation|December 2, 2015
TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range HybridsDenis Jacquemin, Eric A Perpète, Gustavo E Scuseria, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 2, 2002
A novel density functional study of the ground state properties of a localized trinuclear copper(II,II,III) mixed-valence systemClaude Daul, Sergio Fernandez-Ceballos, Ilaria Ciofini, et al.
The Journal of Physical Chemistry. B|February 24, 2010
EPR, ENDOR, and HYSCORE study of the structure and the stability of vanadyl-porphyrin complexes encapsulated in silica: potential paramagnetic biomarkers for the origin of lifeDidier Gourier, Olivier Delpoux, Audrey Bonduelle, et al.
Journal of the American Chemical Society|April 26, 2011
Theoretical procedure for optimizing dye-sensitized solar cells: from electronic structure to photovoltaic efficiencyTangui Le Bahers, Frédéric Labat, Thierry Pauporté, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Benchmark Study on the Triplet Excited-State Geometries and Phosphorescence Energies of Heterocyclic Compounds: Comparison Between TD-PBE0 and SAC-CIDiane Bousquet, Ryoichi Fukuda, Denis Jacquemin, et al.
The Journal of Organic Chemistry|March 28, 2022
One-Pot anti-Michael Regio- and Stereoselective Hydroamination of Activated <i>N</i>-AllenamidesMaxime Hourtoule, Yongxiang Zheng, Anna Perfetto, et al.
Plants (Basel, Switzerland)|August 28, 2021
Recovery, Molecular Characterization, and Ampelographic Assessment of Marginal Grapevine Germplasm from Southern Umbria (Central Italy)Alessandra Zombardo, Paolo Storchi, Paolo Valentini, et al.
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