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Results: 1053

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

Sílvia Cerezo, Jordi Cortés, Marcial Moreno-Mañas, Roser Pleixats, Anna Roglans
Palladium(0)-catalyzed allylation of highly acidic and non-nucleophilic arenesulfonamides, sulfamide, and cyanamide. I.
Tetrahedron, 1998, 54, 14869-14884
DOI: 10.1016/S0040-4020(98)00930-2

Sílvia Cerezo, Jordi Cortés, Juan-Manuel López-Romero, Marcial Moreno-Mañas, Teodor Parella, Roser Pleixats, Anna Roglans
Palladium(0)-catalyzed allylation of highly acidic and non-nucleophilic arenesulfonamides, sulfamide, and cyanamide. II. Formation of medium and large heterocycles
Tetrahedron, 1998, 54, 14885-14904
DOI: 10.1016/S0040-4020(98)00931-4

Emili Besalú, Josep Maria Bofill
On the automatic restricted-step rational-function-optimization method
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 1998, 100, 265-274
DOI: 10.1007/s002140050387

Emili Besalú, Ramon Carbó-Dorca
An iterative method to solve the algebraic eigenvalue problem
[], 1997, 21, 395-412
DOI: 10.1023/A:1019103309814

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, M. Duran, M. Solà
Molybdenum (VI) dioxodihalides: Agreement with experiment and prediction of unknown properties through density functional theory
Int. J. Quant. Chem., 1997, 61, 405-414
DOI: 10.1021/om960783q

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