Javier Ramos Diaz
Javier Ramos Diaz
Instituto de Estructura de la Materia, CSIC, Madrid, Spain
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Molecular Modeling of Imidazolium-Based [Tf2N] Ionic Liquids: Microscopic Structure, Thermodynamic and Dynamic Properties, and Segmental Dynamics
GE Logotheti, J Ramos, IG Economou
The Journal of Physical Chemistry B 113 (20), 7211-7224, 2009
912009
Monte Carlo simulation of short chain branched polyolefins in the molten state
J Ramos, LD Peristeras, DN Theodorou
Macromolecules 40 (26), 9640-9650, 2007
762007
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
612005
3D-QSAR analysis of metallocene-based catalysts used in ethylene polymerisation
V Cruz, J Ramos, A Munoz-Escalona, P Lafuente, B Pena, ...
Polymer 45 (6), 2061-2072, 2004
602004
Molecular dynamics simulations for the description of experimental molecular conformation, melt dynamics, and phase transitions in polyethylene
J Ramos, JF Vega, J Martínez-Salazar
Macromolecules 48 (14), 5016-5027, 2015
552015
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
452014
Entanglement relaxation time in polyethylene: Simulation versus experimental data
J Ramos, JF Vega, DN Theodorou, J Martinez-Salazar
Macromolecules 41 (8), 2959-2962, 2008
442008
Theoretical study on a multicenter model based on different metal oxidation states for the bis (imino) pyridine iron catalysts in ethylene polymerization
VL Cruz, J Ramos, J Martínez-Salazar, S Gutiérrez-Oliva, A Toro-Labbé
Organometallics 28 (20), 5889-5895, 2009
432009
Nickel 2-Iminopyridine N-Oxide (PymNox) Complexes: Cationic Counterparts of Salicylaldiminate-Based Neutral Ethylene Polymerization Catalysts
M Brasse, J Cámpora, P Palma, E Álvarez, V Cruz, J Ramos, ML Reyes
Organometallics 27 (18), 4711-4723, 2008
402008
On the nature of the active site in bis (imino) pyridyl iron, a catalyst for olefin polymerization
J Martínez, V Cruz, J Ramos, S Gutiérrez-Oliva, J Martínez-Salazar, ...
The Journal of Physical Chemistry C 112 (13), 5023-5028, 2008
392008
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
352005
A computational study of iron-based Gibson–Brookhart catalysts for the copolymerisation of ethylene and 1-hexene
J Ramos, V Cruz, A Munoz-Escalona, J Martı́nez-Salazar
Polymer 43 (13), 3635-3645, 2002
342002
Thermophysical Properties of the Ionic Liquids [EMIM][B(CN)4] and [HMIM][B(CN)4]
TM Koller, MH Rausch, J Ramos, PS Schulz, P Wasserscheid, ...
The Journal of Physical Chemistry B 117 (28), 8512-8523, 2013
332013
Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulations
VL Cruz, J Ramos, MN Melo, J Martinez-Salazar
Biochimica et Biophysica Acta (BBA)-Biomembranes 1828 (11), 2524-2531, 2013
302013
QSAR model for ethylene polymerisation catalysed by supported bis (imino) pyridine iron complexes
VL Cruz, J Martinez, J Martinez-Salazar, J Ramos, ML Reyes, ...
Polymer 48 (26), 7672-7678, 2007
302007
Effect of a second ethylene molecule on the insertion of ethylene in zirconocene catalyst systems: A QM semiempirical study
A Muñoz‐Escalona, J Ramos, V Cruz, J Martínez‐Salazar
Journal of Polymer Science Part A: Polymer Chemistry 38 (3), 571-582, 2000
282000
Water-Mediated Conformations of the Alanine Dipeptide as Revealed by Distributed Umbrella Sampling Simulations, Quantum Mechanics Based Calculations, and Experimental Data
V Cruz, J Ramos, J Martínez-Salazar
The Journal of Physical Chemistry B 115 (16), 4880-4886, 2011
272011
Structure, thermodynamic and transport properties of imidazolium-based bis (trifluoromethylsulfonyl) imide ionic liquids from molecular dynamics simulations
E Androulaki, N Vergadou, J Ramos, IG Economou
Molecular Physics 110 (11-12), 1139-1152, 2012
262012
Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid
T Koller, J Ramos, NM Garrido, AP Fröba, IG Economou
Molecular Physics 110 (11-12), 1115-1126, 2012
262012
Ab initio study of hydrogenolysis as a chain transfer mechanism in olefin polymerization catalyzed by metallocenes
J Ramos, V Cruz, A Munoz-Escalona, J Martı́nez-Salazar
Polymer 41 (16), 6161-6169, 2000
252000
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