Departament de Química

Filtra

Autor/a

Matèria

Data

Tipus

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 [72]
AVANCES EN LA REACTIVIDAD DE FULLERENOS Y NANOTUBOS: ESTUDIOS TEORICO-EXPERIMENTALES DE CICLACIONES CATALIZADAS POR METALES DE TRANSICION [69]
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 [53]
BIDECASEOX [50]
CATALISIS PREDICTIVA PARA CAMBIAR EL ODEN SECUENCIAL ENTRE EXPERIMENTOS I CALCULOS [43]
DESCOMPOSICION EN EL ESPACIO REAL DE PROPIEDADES OPTICAS NO LINEALES PARA EL DISEÑO RACIONAL DE MATERIALES OPTOELECTRONICOS [37]
ESCANEO COMPUTACIONAL DE RELACIONES ESTRUCTURA%2FACTIVIDAD DE CATALIZADORES DE OXIDACION DEL AGUA PARA LA GENERACION DE H2 [37]
...Veure'n més

Objectius de desenvolupament sostenible

Jerarquia

Col·leccions en aquesta comunitat

Ara es mostren els documents 1-24 de 1406

1 2 | … 59

Critical thoughts on computing atom condensed Fukui functions

2007 Article

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

Josep Carreras Barnés i l'evolució dels enzims

1995 Article

Miró i Ametller, Joan Vázquez Ramió, Eva

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

2008 Article

Voityuk, Alexander A.

Basis set superposition error-counterpoise corrected potential energy surfaces: application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes

1999 Article

Daza, Martha C. Dobado, J. A. Molina Molina, José Salvador Sedano, Pedro et al.

Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study

2008 Article

Voityuk, Alexander A.

Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6

1998 Article

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

A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules

1997 Article

Luis Luis, Josep Maria Duran i Portas, Miquel Andrés, José Luís

Carles Cuadras i les probabilitats multivariants

1995 Article

Miró i Ametller, Joan Vázquez Ramió, Eva

Theoretical study of reactivity and dynamics of hybride-bridged diruthenium complexes and silylium

2009-02-26 Tesi

Tussupbayev, Samat

Synthesis, structure and reactivity of novel CuI, CuII and CuIII complexes containing triaza and hexaaza macrocyclic ligands

2001-12-17 Tesi

Ribas Salamaña, Xavi

Vibration and two-photon absorption

2002 Article

Bishop, David M. Luis Luis, Josep Maria Kirtman, Bernard

Reaction mechanisms involved in cross coupling processes catalysed by copper and nickel

2017-03-10 Tesi

Rovira Coll, Mireia

Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field

2012 Article

Domingo Toro, Alex Rodríguez Fortea, Antonio Swart, Marcel Graaf, Coen de et al.

Synthetic Cyclolipopeptides Selective against Microbial, Plant and Animal Cell Targets by Incorporation of D-Amino Acids or Histidine

2016 Article

Vilà Roura, Sílvia Badosa Romañó, Esther Montesinos Seguí, Emilio Planas i Grabuleda, Marta et al.

Development of analytical methodologies for the assessment of odorous and fragrance compounds in wastewater treatment plants

2014-03-27 Tesi

Godayol Boix, Anna

Transition metal-catalysed [2+2+2] cycloaddition reactions. Methodology and mechanism

2014-05-20 Tesi

Parera Briansó, Magda

Electron localization function at the correlated level

2006 Article

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

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.

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

Operator expansion: definition and molecular integral applications

1995 Article

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

Enric Canadell i la química teòrica

1997 Article

Miró i Ametller, Joan Vázquez Ramió, Eva

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

2014 Article

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

Analytical strategies based on inductively coupled plasma sprectroscopy (ICP) and diffusive gradients in thin fims (DGT) techniques for the assessment of environmental pollution indicators

2011-02-11 Tesi

Colon i Bosch, Mireia

Ara es mostren els documents 1-24 de 1406

1 2 | … 59