Electronic and EPR spectra of the species involved in [W10O32]4− photocatalysis. A relativistic DFT investigation

Structure, properties and reactivity of polyoxometalates: a theoretical perspective

(2012) Xavier López et al.   CHEMICAL SOCIETY REVIEWS

A Tin-Free, Radical Photocatalyzed Addition to Vinyl Sulfones

(2011) Davide Ravelli et al.   ADVANCED SYNTHESIS & CATALYSIS

Atom-Economical Synthesis of Unsymmetrical Ketones through Photocatalyzed CH Activation of Alkanes and Coupling with CO and Electrophilic Alkenes

(2011) Ilhyong Ryu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Predicting the UV spectrum of polyoxometalates by TD-DFT

(2011) Davide Ravelli et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Photochemical Addition of Ethers to C60: Synthesis of the Simplest [60]Fullerene/Crown Ether Conjugates

(2010) Manolis D. Tzirakis et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Prediction of second-order optical nonlinearity of porphyrin–metal–polyoxometalate sandwich compounds

(2010) Chan Yao et al.   DALTON TRANSACTIONS

Matrix effects on the photocatalytic oxidation of alcohols by [nBu4N]4W10O32 incorporated into sol–gel silica

(2010) Alessandra Molinari et al.   DALTON TRANSACTIONS

Predicting the 1H and 13C NMR spectra of paramagnetic Ru(III) complexes by DFT

(2010) Federico Rastrelli et al.   MAGNETIC RESONANCE IN CHEMISTRY

Decatungstate as an efficient photocatalyst in organic chemistry

(2009) Manolis D. Tzirakis et al.   CHEMICAL SOCIETY REVIEWS

Predicting the NMR Spectra of Paramagnetic Molecules by DFT: Application to Organic Free Radicals and Transition-Metal Complexes

(2009) Federico Rastrelli et al.   CHEMISTRY-A EUROPEAN JOURNAL

Second-Order Nonlinear Optical Properties of Trisubstituted Keggin and Wells−Dawson Polyoxometalates: Density Functional Theory Investigation of the Inorganic Donor-Conjugated Bridge−Acceptor Structure

(2009) Chun-Guang Liu et al.   INORGANIC CHEMISTRY

Coupled-cluster and density functional theory studies of the electronic excitation spectra of trans-1,3-butadiene and trans-2-propeniminium

(2009) Olli Lehtonen et al.   JOURNAL OF CHEMICAL PHYSICS

Second-Order Nonlinear Optical Properties of Transition-Metal-Trisubstituted Polyoxometalate−Diphosphate Complexes: A Donor−Conjugated Bridge−Acceptor Paradigm for Totally Inorganic Nonlinear Optical Materials

(2009) Chun-Guang Liu et al.   Journal of Physical Chemistry C

Quantum chemical study of redox-switchable second-order optical nonlinearity in Keggin-type organoimido derivative [PW11O39(ReNC6H5)] n− (n = 2–4)

(2009) W. Guan et al.   THEORETICAL CHEMISTRY ACCOUNTS