Gold(I)-catalyzed intermolecular dioxolane addition to alkynes: the role of water Yoana Fernández-PulidoRamón LópezM. Isabel Menéndez Regular Article 15 May 2019 Article: 74
Theoretical study of the photochemical isomerization process of perfluoroaryltetrahedrane to perfluoroarylcyclobutadiene mediated by 9,10-dicyanoanthracene Qi ShengHui WengTao Zhang Regular Article 14 May 2019 Article: 73
QM/MM study of the conversion of biliverdin into verdoheme by heme oxygenase Fatemeh Sadat AlaviMansour ZahediUlf Ryde Regular Article 13 May 2019 Article: 72
Structures, binding energies and temperature effects in \( \left[ {{\text{Mg}}\left( {{\text{NH}}_{3} } \right)_{n = 1 - 10} } \right]^{2 + } \) clusters Awatef HattabZoubeida DhaouadiEmilia Sicilia Regular Article 11 May 2019 Article: 71
Nature of interlayer carbon–carbon covalent bonding in graphene-based materials Hoai T. NguyenThanh N. Truong Regular Article 09 May 2019 Article: 70
Structural behavior of phenylalanine–tryptophan peptide nanotubes at anhydrous conditions: a theoretical investigation H. A. S. FreitasA. L. J. SaraivaT. Andrade-Filho Regular Article 09 May 2019 Article: 69
Electrophilic additions of nitrated fatty acids with biological thiols: comparison with type-2 alkenes Jie-Hong ChenChing-Han Hu Regular Article 09 May 2019 Article: 68
Theoretical assessment of donor–acceptor complexes [X(PPh3)2 → AlH2]+ (X = C–Pb): structures and bonding Nguyen Thi Ai NhungHuynh Thi Phuong LoanDang Tan Hiep Regular Article 08 May 2019 Article: 67
Effect of the alkyl substituent in NONOates derivatives on the reaction mechanism of NO liberation Violeta Rangel-GalvánMaría Eugenia CastroFrancisco Javier Meléndez Regular Article 07 May 2019 Article: 66
Theoretical determination of the OH-initiated oxidation rate constants of \({\alpha ,\omega }\)-dialkoxyfluoropolyethers Luís P. Viegas Regular Article 06 May 2019 Article: 65
Unravelling the reaction mechanism for the Claisen–Tishchenko condensation catalysed by Mn(I)-PNN complexes: a DFT study Luis Miguel AzofraLuigi Cavallo Regular Article 30 April 2019 Article: 64
The study of nitroxide radical redox-couple and anatase surface interaction: a guide to choose the best sensitizer Yuly KusumawatiZahra R. PuteriMuhamad A. Martoprawiro Regular Article 26 April 2019 Article: 63
Gas-phase reactivity tuned through the interaction with alkaline-earth derivatives M. Merced Montero-CampilloOriana BreaManuel Yáñez Regular Article 22 April 2019 Article: 62
