Articles publicats (D-Q)

Articles publicats (D-Q)

Filtra

Autor/a

Matèria

Data

Tipus

Article [1201]

Llengua (ISO)

Condicions d'accés

Programa de finançament

Projecte

AVANCES EN CATALISIS Y AROMATICIDAD [82]
DISEÑO Y SINTESIS DE FULLERENOS PARA LA CONSTRUCCION DE CELDAS SOLARES HIBRIDAS DE PEROVSKITA Y FULERENOS D ALTO RENDIMIENTO. UN ENFOQUE EXPERIMENTAL Y COMPUTACIONAL SINERGICO [68]
AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION [66]
MODELIZACION MULTIESCALAR EN (BIO)QUIMICA [60]
COMPUTEDRUG [53]
ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION. NUEVOS DESARROLLOS EN AROMATICIDAD, FUNCIONALES DE LA DENSIDAD Y QUIMICA SUPRAMOLECULAR [52]
BIDECASEOX [50]
CATALISIS PREDICTIVA PARA CAMBIAR EL ODEN SECUENCIAL ENTRE EXPERIMENTOS I CALCULOS [40]
ESCANEO COMPUTACIONAL DE RELACIONES ESTRUCTURA%2FACTIVIDAD DE CATALIZADORES DE OXIDACION DEL AGUA PARA LA GENERACION DE H2 [37]
DESCOMPOSICION EN EL ESPACIO REAL DE PROPIEDADES OPTICAS NO LINEALES PARA EL DISEÑO RACIONAL DE MATERIALES OPTOELECTRONICOS [35]
...Veure'n més

Objectius de desenvolupament sostenible

Jerarquia

Ara es mostren els documents 1-24 de 1201

1 2 | … 51

Conformations of poly{G}-poly{C} π stacks with high hole mobility

2008 Article

Voityuk, Alexander A.

Operator expansion: definition and molecular integral applications

1995 Article

Carbó-Dorca, Ramon Besalú i Llorà, Emili Lobato, Miquel

Serendipitous metal-catalyzed H-H/Si-H exchange

2014 Article

Nikonov, Georgii I. Vyboishchikov, Sergei F. Shirobokov, Oleg G. Simionescu, Razvan

Enric Canadell i la química teòrica

1997 Article

Miró i Ametller, Joan Vázquez Ramió, Eva

Electron localization function at the correlated level

2006 Article

Matito i Gras, Eduard Silvi, Bernard Duran i Portas, Miquel Solà i Puig, Miquel

Ein biomimetischer Eisenkatalysator für die Epoxidation von Olefinen mit molekularem Sauerstoff bei Raumtemperatur

2011 Article

Schröder, Kristin Join, Benoët Amali, Arlin Jose Junge, Kathrin et al.

Triplet Mediated C−N Dissociation versus Internal Conversion in Electronically Excited N‑Methylpyrrole

2016-03-15 Article

Blancafort San José, Lluís Ovejas, Virginia Montero, Raúl Fernández Fernández, Marta et al.

Fuzzy set Theory and Quantum Chemistry

1987 Article

Carbó-Dorca, Ramon

Semblança molecular: representació n-dimensional d'un conjunt de molècules

1991 Article

Calabuig Cabanes, Blanca Carbó-Dorca, Ramon Martínez, Antoni

Catalytic C–S, C–Se, and C–P Cross-Coupling Reactions Mediated by a CuI/CuIII Redox Cycle

2012 Article

Font Molins, Marc Parella Coll, Teodor Costas Salgueiro, Miquel Ribas Salamaña, Xavi

Essential factors for control of the equilibrium in the reversible rearrangement of M3N@Ih-C80 fulleropyrrolidines: Exohedral functional groups versus endohedral metal clusters

2014-01-01 Article

Aroua, Safwan Garcia Borràs, Marc Osuna Oliveras, Sílvia Yamakoshi, Yoko

Critical thoughts on computing atom condensed Fukui functions

2007 Article

Bultinck, Patrick Fias, Stijn Alsenoy, Christian van Ayers, Paul W. et al.

El mètode APT (Auto Adjusting Perturbation Theory) de diagonalització de matrius

1997 Article

Carbó-Dorca, Ramon Besalú i Llorà, Emili

Formulació matricial de la teoria de pertorbacions de Rayleigh-Schrödringer: monodimensional

1996 Article

Besalú i Llorà, Emili Carbó-Dorca, Ramon

Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

1999 Article

Luis Luis, Josep Maria Duran i Portas, Miquel Andrés, José Luís Champagne, Benoît et al.

Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity

2013 Article

Garcia Borràs, Marc Osuna Oliveras, Sílvia Swart, Marcel Luis Luis, Josep Maria et al.

Highly Effective Water Oxidation Catalysis with Iridium Complexes through the Use of NaIO4

2013 Article

Codolà Duch, Zoel Cardoso, Joao M. S. Royo, Beatriz Costas Salgueiro, Miquel et al.

Negative Fukui functions: new insights based on electronegativity equalization

2003 Article

Bultinck, Patrick Carbó-Dorca, Ramon Langenaeker, Wilfried

Predicció dels períodes de les seques

1988 Article

Besalú i Llorà, Emili Mestres i López, Jordi Vilardell i Coderch, Pere Casamitjana, Xavier

Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)]

2006 Article

Matito i Gras, Eduard Duran i Portas, Miquel Solà i Puig, Miquel

Second-order Møller-Plesset perturbation theory without basis set superposition error: II: open-shell systems

2004 Article

Salvador Sedano, Pedro Mayer, István

A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration

1993 Article

Martí, Josep Bishop, David M.

A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods

1996 Article

Solà i Puig, Miquel Mestres i López, Jordi Carbó-Dorca, Ramon Duran i Portas, Miquel

Selected configuration interaction with truncation energy error and application to the Ne atom

2006 Article

Bunge, Carlos F.

Ara es mostren els documents 1-24 de 1201

1 2 | … 51