|
G.Allegra, G.Raos, M.Vacatello, Theories and simulations
of polymer-based nanocomposites:
from chain statistics to reinforcement, Prog.
Polym. Sci, 33,683(2008)
M.Vacatello, Phantom chain simulations of
realistically sized polymer-based nanocomposites, Macromol.
Theory Simul., 15,303(2006)
D. G. H. Hetterscheid,
C. Hendricksen, W. I. Dzik,
J. M. M. Smits, E. R. H. van Eck, A. E. Rowan, V.
Busico, M. Vacatello, V. Van Axel Castelli, A. Segre, E. Jellema, T. G. Bloemberg, B. de Bruin, Rhodium-mediated stereoselective polymerization of carbenes,
J. Am. Chem. Soc., 128,9746(2006)
M.Vacatello, Monte Carlo simulations of polymers in nanoslits, Macromol. Theory
Simul.,
13,30(2004)
M.Vacatello, Phantom chain simulations of polymer-nanofiller systems, Macromolecules, 36,3411(2003)
M.Vacatello, Predicting the molecular arrangements in
polymer-based nanocomposites, Macromol. Theory Simul., 12,86(2003)
M.Vacatello, Molecular arrangements in polymer-based
nanocomposites, Macromol. Theory Simul.,
11,757(2002)
M.Vacatello, Chain dimensions in filled polymers: an
intriguing problem, Macromolecules, 35,8191(2002)
M.Vacatello, Order-disorder transitions in model
liquids of mesogenic trimers,
Macromol. Theory Simul., 11,501(2002)
V.Busico, R.Cipullo, W.P.Kretschmer, G.Talarico, M.Vacatello, V.Van Axel Castelli, "Oscillating" metallocene-catalysts:
How do they oscillate?, Angew.Chem.Int.Ed., 41,505(2002)
V.Busico, R.Cipullo, W.P.Kretschmer, G.Talarico, M.Vacatello, V.Van Axel Castelli, The strange case of the
“oscillating” catalysts, Macromol. Symp., 189,127(2002)
M.Vacatello, Ordered arrangements of semiflexible polymers at the interface with solids, Macromol. Theory Simul., 11,53(2002)
V.Busico, R.Cipullo, F.Cutillo, M.Vacatello, Metallocene-catalyzed propene
polymerization: from microstructure to kinetics. 1. C2-symmetric ansa-metallocenes and the "trigger" hypothesis,
Macromolecules, 35,349(2002)
M.Vacatello, Odd-even effects in model liquids of
segmented-chain mesogenic polymers, Polym. Mat. Sci. Eng., 85,442(2001)
M.Vacatello, Monte Carlo simulations of polymer melts
filled with solid nanoparticles, Macromolecules, 34,1946(2001)
V.Busico, R.Cipullo, A.L.Segre, G.Talarico, M.Vacatello, V.Van Axel, "Seeing"
the stereoblock junctions in polypropylene made
with oscillating metallocene catalysts,
Macromolecules, 34,8412(2001)
M.Vacatello, Monte Carlo simulations of the interface
between polymer melts and solids. Effects of chain stiffness., Macromol. Theory Simul., 10,187(2001)
G. Di Landa, M.Vacatello, Monte
Carlo studies of model systems of rodlike molecules
with partially flexible terminal groups and/or with side groups, Mol. Cryst. Liq. Cryst.,
352,257(2000)
V.Busico, R.Cipullo, G.Monaco, G.Talarico, M.Vacatello, J.C.Chadwick, A.L.Segre, O.Sudmeijer, New
insight into propene polymerization promoted by
heterogeneous Ziegler-Natta catalysts, in Metalorganic Catalysts for Synthesis and
Polymerization, W.Kaminski Ed., Springer-Varlag (Berlin), 76(1999)
V.Busico, R.Cipullo, G.Monaco, G.Talarico, M.Vacatello, J.C.Chadwick, A.L.Segre, O.Sudmeijer, High
resolution 13C NMR configurational analysis of
polypropylene made with MgCl2-supported Ziegler-Natta
catalysts. The model system MgCl2/TiCl4-2,6-dimethylpyridine/Al(C2H5)3,
Macromolecules, 32,4173(1999)
M.Vacatello, G. Di Landa, Monte Carlo simulations of systems of rodlike molecules with semiflexible
terminal groups, Macromol.Theory Simul., 8,85(1999)
V.Busico, A.L.Segre, M.Vacatello, The high-field NMR approach: an on-line
demonstration of proprietary software for metallocene
polymer structure analysis, in Metallocenes
'98, Schotland Ed., Skillman, USA (1998)
V.Busico, R.Cipullo, G.Monaco, M.Vacatello, J.Bella, A.L.Segre, Full
assignment of the 13C NMR spectra of regioregular polyproylenes: methine region,
Macromolecules, 31,8713(1998)
A.Forni, F.Ganazzoli, M.Vacatello, Molecular shape of regular star polymers
by Monte Carlo simulations, Macromolecules, 30,4737(1997)
V.Busico, R.Cipullo, G.Monaco, M.Vacatello, A.L.Segre, Full assignment of the 13C NMR spectra of regioregular polyproylenes:
methyl and methylene region, Macromolecules, 30,6251(1997)
M.Vacatello, Atomistic Monte Carlo simulations of polymethylene fluids, Macromol.
Theory Simul., 6,613(1997)
V.Busico, D.Brita, L.Caporaso, R.Cipullo, M.Vacatello, Interfering effects of growing chain
epimerization on metallocene-catalyzed isotactic propene
polymerization, Macromolecules, 30,3971(1997)
V.Busico, R.Cipullo, M.Vacatello, A.L.Segre, Full
assignment of 13C NMR spectra of polypropylene: mechanistic implications,
Polymer Preprints, 38,778(1997)
M.Vacatello, M.Iovino, Molecular
organization in liquids consisting of anisometric
molecules: Monte Carlo simulations and comparison with theories, Liquid
Crystals, 22,75(1997)
A.Forni, F.Ganazzoli, M.Vacatello, Local conformation of regular star
polymers in a good solvent: a Monte Carlo study, Macromolecules, 29,2994(1996)
G.Guerra, L.Cavallo, G.Moscardi, M.Vacatello, P.CorradiniBack-skip pf the growing chain at
model complexes for the metallocene polymerization
catalysts, Macromolecules, 29,4834(1996)
M.Vacatello, M.Iovino, Monte
Carlo simulations of a liquid of mesogenic
molecules, J. Chem. Phys., 104,2721(1996)
Do Y.Yoon, M.Vacatello, G.D.Smith, Simulation
studies of polymer melts at interfaces, in Monte Carlo and Molecular
Dynamics Simulations in Polymer Science, K. Binder Ed., Oxford Univ.
Press N.Y.,433(1995)
G.Guerra, P.Corradini, L.Cavallo, M.Vacatello, Molecular
mechanics and mechanisms of regulation of the stereospecificity
in Ziegler-Natta catalysis, Makromol.Chem.,
Macromol. Symp., 89,307(1995)
P.Corradini, G.Guerra, L.Cavallo, G.Moscardi, M.Vacatello, Models for the explanation of the stereospecific behaviour of
Ziegler-Natta catalysts, in Ziegler
Catalysts, G. Fink,R.Mulhaupt,H.H.Brintzinger
Eds., Springer-Verlag. Berlin, 237(1995)
V.Busico, R.Cipullo, P.Corradini, L.Landriani, M.Vacatello, A.L.Segre, Advances
in 13C NMR microstructural characterization of propene polymers, Macromolecules, 28,1887(1995)
F.Auriemma, P.Corradini, G.Guerra, M.Vacatello, Conformational
analysis of highly extended poly(ethylene terephthalate)
chains by Monte Carlo calculations, Macromol.
Theory Simul., 4,165(1995)
M.Vacatello, Atomistic Monte Carlo simulations of
liquids of chain molecules confined by solid surfaces: methods and recent
results, Molecular Simulations, 13,245(1994)
G.Guerra, L.Cavallo, G.Moscardi, M.Vacatello, P.Corradini, Enantioselectivity
in the regioirregular placements and regiospecificity in the isospecific
polymerization of propene with homogeneous Ziegler-Natta catalysts, J.Am.Chem.Soc.,
116,2988(1994)
M.Vacatello, Molecular arrangements of liquids of
chain molecules near solid surfaces in the presence of a diluent,
Macromol.Theory Simul., 3,325(1994)
G.Guerra, L.Cavallo, V.Venditto, M.Vacatello, P.Corradini, Molecular mechanics and the
polymerization mechanism of homogeneous and heterogeneous Ziegler-Natta catalysts, Makromol.Chem.,
Makromol.Symp., 69,237(1993)
R.Raucci, M.Vacatello, Monte
Carlo studies of the conformational statistics of polymers. Polyethylene.,
Makromol.Chem., Theory Simul.,
2,875(1993)
M.Vacatello, F.Auriemma, Molecular
arrangements and conformations of liquid unbranched
alkanes in narrow slits, Makromol.Chem.,
Theory Simul., 2,77(1993)
P.Corradini, V.Busico, L.Cavallo, G.Guerra, M.Vacatello, V.Venditto, Structural
analogies between homogeneous and heterogeneous catalysts for the stereospecific polymerization of 1-alkenes, J.Mol.Cat., 74,433(1992)
M.Vacatello, Do Y. Yoon, Conformational statistics of polyisobutene by a Monte Carlo study, Macromolecules,
25,2502(1992)
L.Cavallo, G,Guerra, M.Vacatello, P.Corradini, A
model for the homogeneous isospecific Ziegler-Natta polymerization of olefins:Enantioselectivity
in the deuteration and deuteriooligomerization
of 1-alkenes, Chirality, 3,299(1991)
F.Auriemma, P.Corradini, M.Vacatello, Order/disorder phase transitions of
liquid-crystalline polymers with rigid groups in the side chains.A
lattice theory, J.Chem.Phys., 93,8314(1991)
V.Busico, A.Ferrara, G.Sticotti, M.Vacatello, Thermotropic polymorphism of potassium
1-hexadecanoate: a link between "rotator" and
"liquid-like" phase of lipid bilayer
systems, Gazz.Chim.Ital., 121,235(1991)
L.Cavallo, P.Corradini, G.Guerra, M.Vacatello, On
the effects of methyl substituents on chelating ligands in models for homogeneous isospecific
Ziegler-Natta catalysis, Polymer, 32,1329(1991)
M.Vacatello, Do Y.Yoon, Molecular
arrangements and conformations of chain molecules near inpenetrable
surface, Makromol.Chem., Macromol.Symp.,
48-49,349(1991)
L.Cavallo, G.Guerra, M.Vacatello, P.Corradini, A
possible model for the stereospecificity in the syndiospecificic polymerization of propene
with group 4a metallocenes, Macromolecules, 24,1784(1991)
M.Vacatello, Do Y. Yoon, P.J.Flory,
Intermediate-angle neutron and X-ray scattering functions of poly(methyl methacrylate) chains, Macromolecules, 23,1993(1990)
M.Vacatello, Do Y. Yoon, B.C.Laskowski,
Molecular arrangements and conformations of liquid n-tridecane
chains confined beween two hard walls, J.Chem. Phys., 93,779(1990)
M.Vacatello, Do Y. Yoon, Molecular arrangements and
conformations of the alkyl chains in spherical micelles and droplets, J.Chem.Phys., 92,757(1990)
S.K.Kumar, M.Vacatello, Do Y.
Yoon, Off-lattice Monte Carlo simulations of polymer melts confined
between two-plates.2. Effect of chain length and plate separation,
Macromolecules, 23,2189(1990)
M.Vacatello, Do Y. Yoon, Molecular arrangements and
conformations of chain molecules near inpenetrable
surfaces, Makromol.Chem., 93,8314(1990)
L.Cavallo, P.Corradini, M.Vacatello, Helical conformations and conformational
stability of isotactic poly(triphenylmethyl
methacrylate), Polymer Communications, 30,236(1989)
F.Auriemma, P.Corradini, A.Roviello, M.Vacatello, The
phase behaviour of solutions of nematic
dimers constituted by two rigid groups linked by
flexible spacers, Europ.Polym.J., 25,57(1989)
L.Cavallo, G.Guerra, L.Oliva, M.Vacatello, P.Corradini, Steric
control in the initiation step of the isospecific
homogeneous Ziegler-Natta polymerization of propene and 1-butene, Polymer Communications, 30,16(1989)
S.K.Kumar, M.Vacatello, Do Y.Yoon, Off-lattice Monte Carlo simulations of polymer
melts confined between two plates, J.Chem.Phys.,
89,5206(1988)
P.Corradini, G.Guerra, M.Vacatello, V.Villani, A
possible model for site control of stereoregularity
in the isotactic specific homogeneous Ziegler-Natta polymerization, Gazz.Chim.Ital.,
118,173(1988)
F.Auriemma, P.Corradini, M.Vacatello, A general lattice model of systems of
chain molecules.Theory and comparison with
literature models, Gazz.Chim.Ital, 116,569(1986)
V.Busico, A.Ferraro, M.Vacatello, On the 'rotator-like'phase
of 16-hydroxy-lithium-hexadecanoate, J.Chem.Phys.,
84,471(1986)
M.Vacatello, P.J.Flory, Conformational
Statistics of Poly(methyl methacrylate),
Macromolecules, 19,405(1986)
C.Coppola, V.Busico, M.Vacatello, Mixed long chain bis(n-alkylammonium)tetrachloromanganates:a
structural divertissement, Gazz.Chim.Ital., 115,53(1985)
V.Busico, A.Ferraro, M.Vacatello, Thermotropic
smectic liquid crystals of ionic amphiphilic compounds:a general
discussion, Mol.Cryst.Liq.Cryst., 128,243(1985)
M.Vacatello, P.J.Flory, Helical
conformations of isotactic poly(methyl methacrylate).Energies computed with bond angle
relaxation, Polymer Communications, 25,258(1984)
V.Busico, A.Ferraro, M.Vacatello, Polymorphism and liquid crystalline
behavior of lithium n-hexadecanoate, J.Phys.Chem., 88,4055(1984)
V.Busico, F.Auriemma, M.Vacatello, Polymorphism in anhydrous amphiphilic systems: mixed prymary
n-alkylammonium chlorides, Gazz.Chim.Ital.,
114,127(1984)
M.Vacatello, V.Busico, The
structure and conformation of n-hydrocarbon chains in bilayer
systems in the"fluid" phase, Mol.Cryst.Liq.Cryst., 107,341(1984)
M.Vacatello, V.Busico, P.Corradini, A computer model of hydrocarbon molecules
in a disordered layer environment, Gazz.Chim.Ital.,
114,117(1984)
V.Busico, M.Vacatello, Diffusion
of long chain alkylammonium cations
in layer compounds (n-CnH2n+1NH3)2MCl4,
Mol.Cryst.Liq.Cryst., 95,251(1983)
V.Busico, M.Vacatello, Lipid
bilayers in the "fluid" state:computer simulation and comparison with model
compounds, Mol.Cryst.Liq.Cryst., 97,195(1983)
V.Busico, P.Cernicchiaro, A.Scopa, M.Vacatello, Structural
organization of polar-group-containing polymers in the molten state, Coll.Polym.Sci., 261,224(1983)
V.Busico, T.Tartaglione, M.Vacatello, Thermal behavior of mixed long chain alkylammonium tetrachlorozincates,
Thermochim. Acta, 62,77(1983)
V.Busico, P.Cernicchiaro, P.Corradini, M.Vacatello, Polymorphism
in anhydrous amphiphilic systems:long
chain primary n-alkylammonium chlorides, J.Phys.Chem., 87,1631(1983)
P.Corradini, M.Vacatello, A
Simple Statistical Thermodynamical Model for
Liquid-Crystalline Polymers with Repeating Units Comprising a Rigid and
Flexible Part, Mol.Cryst.Liq.Cryst, 97,119(1983)
M.Vacatello, V.Busico, P.Corradini, The conformation of hydrocarbon chains in
disordered layer systems, J.Chem.Phys., 78,590(1983)
V.Busico, A.Scopa, M.Vacatello, Melting behaviour
of hydrocarbon chain molecules with ionic end groups:primary
n-alkylammonium halides, Z.Naturforsch.,
37-a,1466(1982)
V.Busico, P.Corradini, M.Vacatello, Thermal behaviour
and observation of a smectic mesophase
in n-pentadecylammonium chloride, J.Phys.Chem., 86,1033(1982)
V.Busico, A.Del Gaudio, M.Vacatello, Thermal
behaviour of some long chain alkylene
diammonium tetrabromozincates,
Gazz.Chim.Ital., 111,235(1981)
V.Busico, M.Vacatello, DSC
study of some long chain alkylene diammonium tetrachlorozincates,
Gazz.Chim.Ital., 111,13(1981)
M.Vacatello, M.De Girolamo, V.Busico, Relationships
between structure and properties in long chain bis(n-alkylammonium tetrabromocuprates(II)
and bis(n-alkylammonium)tetrabromomanganates(II), J.Chem.Soc.Faraday
Trans., 177,2367(1981)
M.Vacatello, V.Busico, On
the liquid crystalline behaviour of bis(n-pentadecylammonium)tetrabromozincate, Mol.Cryst.Liq.Cryst.Lett.,
64,127(1981)
V.Busico, P.Corradini, M.Vacatello, F.Fittipaldi, L.Nicolais, Solid-solid phase transitions for thermal
energy storage., in Thermal Storage of Solar Energy,C.Den Ouden
Ed., Martinus Nijhoff Pub.,The Hague, 309(1981)
C.Paraggio, V.Salerno, V.Busico, M.Vacatello, The
thermal behaviour of mixed long chain alkylammonium tetrachloromanganates
(II)., Thermochim. Acta,
42,185(1980)
V.Busico, C.Carfagna, V.Salerno, M.Vacatello, F.Fittipaldi, The layer perovskites
as thermal energy storage systems., Solar Energy, 24,575(1980)
J.Hermans, M.Vacatello, Modelling water-protein interactions in a
protein crystal., in Water in Polymers, S.P.Rowland
Ed., ACS Symposium Series Washington, 199(1980)
V.Busico, C.Carfagna, V.Salerno, M.Vacatello, Thermal
behaviour of complexes of general formula (n-CnH2n+1NH2)2CuCl2.
, Thermochim. Acta, 39,1(1980)
C.Carfagna, V.Busico, V.Salerno, M.Vacatello, Melting
behaviour of a series of monoamides.,
Thermochim. Acta, 37,31(1980)
V.Busico, V.Salerno, M.Vacatello, Conformational solid-solid phase
transitions in long chain alkylammonium tetrachloromercurates(II)., Gazz.Chim.Ital.,
109,581(1979)
V.Busico, V.Salerno, M.Vacatello, Solid state solubility of long chain alkylammonium tetrachloromanganates(II).,
Gazz.Chim.Ital., 109,577(1979)
C.Carfagna, M.Vacatello, P.Corradini, Melting behaviour
of a series of diamides., Termochim.
Acta, 28,265(1979)
V.Salerno, E.Landi, M.Vacatello, Transition metal complexes with long
chain amines.Thermal behavior and crystal structure
of (n-CnH2n+1NH2)2ZnCl2.,
Thermoc.Acta, 20,407(1977)
E.Landi, V.Salerno, M.Vacatello, Structural aspects of the solid state
phase transitions in long chain alkylammonium tetrachlorometallates(II), Gazz.Chim.Ital.,
107,27(1977)
C.Carfagna, M.Vacatello, P.Corradini, On the structure of the hydrocarbon
layers in the high-temperature polymorphs of straight-chain n-alkylammonium tetrachlorometallates
(II)., Gazz.Chim.Ital., 107,131(1977)
C.Carfagna, M.Vacatello ,P.Corradini, On the conformational freedom of the
chains of polyamides above the melting point., J.Polymer
Sci.Part A1, 15,1(1977)
V.Salerno, A.Grieco, M.Vacatello, Ordered and disordered phases in mixed dodecylammonium and hexadecylammonium
tetrachloromanganate(II), J.Phys.Chem.,
80,2444(1976)
E.Landi, M.Vacatello, Metal
dependent thermal behaviour in (n-CnH2n+1NH3)2MCl4,
Thermoc.Acta, 13,441(1975)
E.Landi, M.Vacatello, New
disordered polymorphs in long chain alkylammonium tetrachlorocobaltates(II), Thermoc.Acta,
12,141(1975)
M.Vacatello, Transizioni
di fase solido-solido in composti del tipo (n-CnH2n+1NH3)2CuCl4,
Ann.Chim.(Roma), 64,13(1974)
M.Vacatello, P.Corradini, Relationsphips between Structure and Properties
of Compounds of the type (RNH3)2MX4. II.
Compounds with M=Mn,X=Cl,and R=n-C9H19,n-C11H23,n-C13H27,n-C15H31and
n-C17H35., Gazz.Chim.Ital.,
104,773(1974)
M.Vacatello, P.Corradini, Relationships
between Structure and Properties of Compounds of the type (RNH3)2MX4.I.
Compounds with M=Mn,X=Cl
and R=n-C10H21,n-C12H25,n-C14H29
and n-C16H33, Gazz.Chim.Ital.,
103,1027(1973)
|