| Structure− activity relationship study of the metallocene catalyst activity in ethylene polymerization VL Cruz, J Ramos, S Martinez, A Muñoz-Escalona, J Martinez-Salazar Organometallics 24 (21), 5095-5102, 2005 | 71 | 2005 |
| 3D-QSAR as a tool for understanding and improving single-site polymerization catalysts. a review VL Cruz, S Martinez, J Ramos, J Martinez-Salazar Organometallics 33 (12), 2944-2959, 2014 | 61 | 2014 |
| Surface‐enhanced Raman spectra of dimethoate and omethoate L Guerrini, S Sanchez‐Cortes, VL Cruz, S Martinez, S Ristori, A Feis Journal of Raman Spectroscopy 42 (5), 980-985, 2011 | 58 | 2011 |
| 3D-QSAR study of ansa-metallocene catalytic behavior in ethylene polymerization VL Cruz, S Martinez, J Martinez-Salazar, D Polo-Cerón, S Gómez-Ruiz, ... Polymer 48 (16), 4663-4674, 2007 | 40 | 2007 |
| An experimental and computational evaluation of ethylene/styrene copolymerization with a homogeneous single‐site titanium (IV)‐constrained geometry catalyst S Martinez, MT Exposito, J Ramos, V Cruz, MC Martinez, M Lopez, ... Journal of Polymer Science Part A: Polymer Chemistry 43 (4), 711-725, 2005 | 32 | 2005 |
| A theoretical study of ethylene–styrene copolymerization by using half-sandwich Cp-based titanium catalysts A Munoz-Escalona, V Cruz, N Mena, S Martınez, J Martinez-Salazar Polymer 43 (25), 7017-7026, 2002 | 32 | 2002 |
| Polymerization activity prediction of zirconocene single-site catalysts using 3d quantitative structure–activity relationship modeling S Martínez, VL Cruz, J Ramos, J Martínez-Salazar Organometallics 31 (5), 1673-1679, 2012 | 29 | 2012 |
| Copolymerization of ethylene and styrene by homogeneous metallocene catalysts. 1. Theoretical studies with rac-ethylenebis-(tetrahydroindenyl) MCl2 [M= Ti, Zr] systems S Martınez, V Cruz, A Munoz-Escalona, J Martinez-Salazar Polymer 44 (1), 295-306, 2003 | 23 | 2003 |
| Mechanistic aspects of dinitrogen hydrogenation catalyzed by the geometry-constrained zirconium and titanium complexes: Computational studies S Martinez, K Morokuma, DG Musaev Organometallics 26 (24), 5978-5986, 2007 | 22 | 2007 |
| Ethylene/styrene copolymerisation by homogeneous metallocene catalysts: experimental and molecular simulations using rac-ethylenebis (tetrahydroindenyl) MCl2 [M= Ti, Zr] systems MT Exposito, S Martínez, J Ramos, V Cruz, M Lopez, A Munoz-Escalona, ... Polymer 45 (26), 9029-9038, 2004 | 22 | 2004 |
| Computational studies of the Brookhart's type catalysts for ethylene polymerisation. Part 2: ethylene insertion and chain transfer mechanisms J Ramos, V Cruz, A Munoz-Escalona, S Martı́nez, J Martı́nez-Salazar Polymer 44 (7), 2169-2176, 2003 | 20 | 2003 |
| Ethylene-styrene copolymerization with constrained geometry catalysts: A density functional study J Ramos, A Muñoz-Escalona, S Martínez, J Martínez-Salazar, V Cruz The Journal of chemical physics 122 (7), 2005 | 13 | 2005 |
| A QM/MM study of the ethylene and styrene insertion process into the ion pair [Me2Si (C5Me4)(NtBu) Ti (CH2CH2CH3)]+[μ-Me–Al (Me) 2–(AlOMe) 6Me]− S Martinez, J Ramos, VL Cruz, J Martinez-Salazar Polymer 47 (3), 883-896, 2006 | 12 | 2006 |
| Isomeric effect of the Et (H4Ind) 2Zr (CH3) 2 catalyst on the copolymerization of ethylene and styrene: A computational study S Martínez, J Ramos, VL Cruz, J Martínez‐Salazar Journal of Polymer Science Part A: Polymer Chemistry 44 (16), 4752-4761, 2006 | 11 | 2006 |
| A Curtin–Hammett mechanism for the copolymerization of ethylene and methyl acrylate monomer using a PymNox nickel catalyst as revealed by DFT computational studies J Ramos, S Martínez, VL Cruz, J Martínez-Salazar Journal of molecular modeling 18, 515-523, 2012 | 5 | 2012 |
| Proposed polymerization termination mechanism for 3-R-indenyl ansa-zirconocenes (R= n-alkyl) based on DFT calculations and experimental observations VL Cruz, S Martínez, J Martínez-Salazar, J Sancho Macromolecules 40 (20), 7413-7415, 2007 | 5 | 2007 |
| New termination mechanism for olefin polymerization catalyzed by n-alkyl (R) substituted 3-R indenyl zirconocenes as determined by DFT calculations VL Cruz, S Martinez, J Martinez-Salazar, J Sancho ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 232, 300-300, 2006 | | 2006 |
