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On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids Miguel GallegosSara Gil-GuerreroAurora Costales Regular Article 03 September 2019 Article: 112
Thermal rate coefficients and kinetic isotope effects of the reaction HO + H2O → H2O + OH Yongfa ZhuYunpeng LuHongwei Song Regular Article 30 August 2019 Article: 111
Size effects in charge migration in alkyne chains Victor DespréAlexander I. Kuleff Regular Article 30 August 2019 Article: 110
Theoretical investigations of structural, thermal properties and stability of the group 12 metal M(XH) isomers in atmosphere: M = (Zn, Cd, Hg) and XH = (OH, SH) N. EzarfiA. Touimi BenjellounM. Mcharfi Regular Article 28 August 2019 Article: 109
Equidensity orbitals in resultant-information description of electronic states Roman F. Nalewajski Regular Article Open access 27 August 2019 Article: 108
Methane functionalization by an Ir(III) catalyst supported on a metal–organic framework: an alternative explanation of steric confinement effects Bo YangXin-Ping WuDonald G. Truhlar Regular Article 24 August 2019 Article: 107
Bonding and Diels–Alder reactions of substituted 2-borabicyclo(1.1.0)but-1(3)-enes: a theoretical study Congjie ZhangZhimin WangYirong Mo Regular Article 24 August 2019 Article: 106
DFT study of two-photon absorption of octupolar molecules Anissa AmarAbdou BoucekkineOlivier Mongin Regular Article 13 August 2019 Article: 105
Comparative study of 1:1 Lewis acid–base adducts between Cp2M(L)H (M = V, Nb, Ta; L = CO, C2H4, P(CH3)3) and BF3/AlF3 Jia WangZheng SunXiaoyan Li Regular Article 12 August 2019 Article: 104
