AUTHORS: Dario Vassetti, Ismail Can Oguz, Frédéric Labat DOI: 10.1021/acs.jctc.1c00611 Journal: Journal of Chemical Theory and...

TITLE: Assessing the performances of different continuum solvation models for the calculation of hydration energies of molecules,...

Davide Luise, Liam Wilbraham, Frédéric Labat, Ilaria Ciofini DOI: 10.1002/jcc.26534 ABSTRACT:We present a generalization of a...

Yongxiang Zheng, Anna Perfetto, Davide Luise, Ilaria Ciofini, and Laurence Miesch DOI: 10.1021/acs.orglett.1c01876 ABSTRACT: The...

Journa of American Chemical SOciety DOI: 10.1021/acs.iecr.0c04276 The effect of key computational parameters of the quantum chemical...

DOI: 10.1002/qua.26560 International Journal of Quantum Chemistry In this work, we investigate the effects of different atomic charge and...

The Journal of Physical Chemistry Letters DOI: 10.1021/acs.jpclett.0c02766 The development of efficient artificial leaves relies on the...

DOI:10.1039/D0CP03038D Journal of Physical Chemistry Chemical Physics The field of organic photovoltaics has witnessed a steady growth in...

Macromolecular Rapid Comunication DOI: 10.1002/marc.202000426 The perylene bisimide derivative Paliogen Black (P‐black) is proposed as a...

Chemistry A European Journal DOI: 10.1002/chem.202002696 A formal [3+2] cyclization mediated by silver(I) oxide and DBU is described...