Publications

More filters

Results: 469

Maricel Torrent, Miquel Solà, Gernot Frenking
Theoretical Study of Gas-Phase Reactions of Fe(CO)
Organometallics, 1999, 18, 2801-2812
DOI: 10.1021/om9810504

Maricel Torrent, Liqun Deng, Miquel Duran, Miquel Solà, Tom Ziegler
Mechanisms for the formation of epoxide and chlorine-containing products in the oxidation of ethylene by chromyl chloride: a density functional study
Revue canadienne de chimie, 1999, 77, 1476-1491
DOI: 10.1139/cjc-77-9-1476

Marta Forés, Miquel Duran, Miquel Solà
Intramolecular proton transfer in the ground and the two lowest-lying singlet excited states of 1-amino-3-propenal and related species
Chemical Physics, 1998, 234, 1-19
DOI: 10.1016/S0301-0104(98)00165-7

Zexing Cao, Miquel Duran, Miquel Solà
Low-lying electronic states and molecular structure of Fe₂O₂
Faraday Trans., 1998, 94, 2877-2881
DOI: 10.1039/a803725f

Jordi Mestres, Miquel Solà
Diels−Alder Cycloadditions of 1,3-Butadiene to Polycyclic Aromatic Hydrocarbons (PAH). Quantifying the Reactivity Likeness of Bowl-Shaped PAHs to C₆₀
J. Org. Chem., 1998, 63, 7556-7558
DOI: 10.1021/jo981148s

Maricel Torrent, Miquel Duran, Miquel Solà
Density Functional Study on the Preactivation Scenario of the Dtz Reaction: Carbon Monoxide Dissociation versus Alkyne Addition as the First Reaction Step
Organometallics, 1998, 17, 1492-1501
DOI: 10.1021/om9704298

ChristianSilvio Pomelli, Jacopo Tomasi, Miquel Solà
Theoretical Study on the Thermodynamics of the Elimination of Formic Acid in the Last Step of the Hydrogenation of CO₂ Catalyzed by Rhodium Complexes in the Gas Phase and Supercritical CO₂
Organometallics, 1998, 17, 3164-3168
DOI: 10.1021/om9711279

Zexing Cao, Miquel Duran, Miquel Solà
Low-lying electronic states and molecular structure of FeO2 and FeO2
Chemical Physics Letters, 1997, 274, 411-421
DOI: 10.1016/S0009-2614(97)00686-6

Pedro Martin-Zarza, Pedro Gili, Catalina Ruiz-Perez, Fernando V. Rodriguez-Romero, German Lotter, Juan M. Arrieta, Maricel Torrent, Jordi Mestres, Miquel Solà, Miquel Duran
Preparation and characterization of pyridinium-n-carboxylate trioxochromate (VI) (n=3, 4) and pyridinium-4-carboxylic pyridine-4 carboxylate trioxochromate (VI) hemihydrate
Inorganica Chimica Acta, 1997, 258, 53-63
DOI: 10.1016/S0020-1693(96)05512-0

M. Torrent, P. Gili, Miquel Duran, Miquel Solà
Molybdenum (VI) dioxodihalides: Agreement with experiment and prediction of unknown properties through density functional theory
Int. J. Quant. Chem., 1997, 61, 405-414
NextPrevious