Lugar de publicación
- In-depth exploration of catalytic sites on amorphous solid water: I. The astrosynthesis of aminomethanol. 26(27):18692-18706. 2024
- Molecular dynamics of liquid-liquid equilibrium and interfacial properties of aqueous solutions of methyl esters. 24(9):5371-5385. 2022
- Osmolyte effect on enzymatic stability and reaction equilibrium of formate dehydrogenase. 24(45):27930-27939. 2022
- Molecular modelling techniques for predicting liquid-liquid interfacial properties of methanol plus alkane (n-hexane, n-heptane, n-octane) mixtures. 22(46):27121-27133. 2020
- Physical properties of new ordered bimetallic phases M0.25Cd0.75PS3 (M = Zn-II, Ni-II, Co-II, Mn-II). 22(16):8315-8324. 2020
- Vapour-liquid phase equilibria and interfacial properties of fatty acid methyl esters from molecular dynamics simulations. 22(9):4974-4983. 2020
- Decomposition of the electronic activity in competing [5,6] and [6,6] cycloaddition reactions between C-60 and cyclopentadiene. 21(9):5039-5048. 2019
- Tuning of nonlinear absorption in highly luminescent CdSe based quantum dots with core-shell and core/multi-shell architectures. 21(21):11424-11434. 2019
- Effect of an external electric field on capillary filling of water in hydrophilic silica nanochannels. 20(27):18262-18270. 2018
- Spin density distributions on graphene clusters and ribbons with carbene-like active sites. 20(42):26968-26978. 2018
- Water thermophoresis in carbon nanotubes: the interplay between thermophoretic and friction forces. 20(5):3672-3677. 2018
- Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations. 19(6):4179-4189. 2017
- High level potential energy surface and mechanism of Al(CH3)(2)OCH3-promoted lactone polymerization: initiation and propagation. 19(13):8989-8999. 2017
- Radicals derived from acetaldehyde and vinyl alcohol. 19(40):27275-27287. 2017
- Slip divergence of water flow in graphene nanochannels: the role of chirality. 19(13):8646-8652. 2017
- Effect of the meniscus contact angle during early regimes of spontaneous imbibition in nanochannels. 18(47):31997-32001. 2016
- Force exerted by a nanoscale capillary water bridge between two planar substrates. 18(16):11176-11183. 2016
- Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes. 18(48):33218-33225. 2016
- Proline cis-trans isomerization and its implications for the dimerization of analogues of cyclopeptide stylostatin 1: a combined computational and experimental study. 18(18):12755-12767. 2016
- The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate. 18:24033-24042. 2016
- Understanding the interfacial behavior in isopycnic Lennard-Jones mixtures by computer simulations. 18(2):1114-1124. 2016
- Wall embedded electrodes to modify electroosmotic flow in silica nanoslits. 18(2):1202-1211. 2016
- Charge separation and isolation in strong water droplet impacts. 17:6858-6864. 2015
- Early regimes of water capillary flow in slit silica nanochannels. 17:14731-14739. 2015
- Exploring the nature of the excitation energies in [Re-6(mu(3)-Q(8))X{6](4-) clusters: a relativistic approach. 17(27):17611-17617. 2015
- Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule. 16(47):25978-25988. 2014
- Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-Pump and EUV-photoelectron Probe spectroscopy. 16(36):19365-19375. 2014
- Global Phase Diagram Analysis of the Dieterici Equation of State. 22:5189-5194. 2004
- Closed Loops of Liquid-Liquid Immiscibility Predicted by Semi-Empirical Cubic Equations of State and Classical Mixing Rules. 4:879-883. 2002