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Titolo Data di pubblicazione Autori File
The Lowest Singlet and Triplet States of o-Benzyne: Spin-Coupled Interpretation of the Electronic Structure at CAS SCF Equilibrium Geometries 1-gen-1993 RAOS, GUIDO +
On the role of different spin bases within spin-coupled theory 1-gen-1993 RAOS, GUIDO +
Spin-Coupled Study of the Electronic Structure of Polyenyl Radicals C3H5-C9H11 1-gen-1994 RAOS, GUIDO +
The Collapse of Chains with Different Architectures 1-gen-1994 RAOS, GUIDOGANAZZOLI, FABIO +
Spin correlation in pi-electron systems from spin-coupled wavefunctions. II. Further applications 1-gen-1994 RAOS, GUIDO +
Spin correlation in pi-electron systems from spin-coupled wavefunctions. I. Theory and first applications 1-gen-1994 RAOS, GUIDO +
Aromatic Electrophilic Substitution: A Modern Valence Bond Study 1-gen-1995 RAOS, GUIDO +
Catalytic Chemistry of Furan and Thiophene: ab initio calculations using the spin-coupled valence bond method of the interaction between furan and thiophene and a positively charged centre 1-gen-1995 RAOS, GUIDO +
The Collapse of Macromolecules in Poor Solvents 1-gen-1996 GANAZZOLI, FABIORAOS, GUIDO +
The Conformation of Linear and Star Polymers in the Ideal State 1-gen-1996 GANAZZOLI, FABIORAOS, GUIDO +
Chain collapse and phase separation in poor-solvent polymer solutions: A unified molecular description 1-gen-1996 RAOS, GUIDOALLEGRA, GIUSEPPE
Chain Interactions in Poor-Solvent Polymer Solutions: Equilibrium and Nonequilibrium Aspects 1-gen-1996 RAOS, GUIDOALLEGRA, GIUSEPPE
Rubber elasticity: A contact-probability model with harmonic entanglement constraints 1-gen-1996 ALLEGRA, GIUSEPPERAOS, GUIDO +
Pair Populations and Effective Valencies from Ab Initio SCF and Spin-Coupled Wave Functions 1-gen-1996 RAOS, GUIDO +
A Cluster of Chains Can Be Smaller Than a Single Chain: New Interpretation of Kinetics of Collapse Experiments 1-gen-1996 RAOS, GUIDOALLEGRA, GIUSEPPE
Macromolecular clusters in poor-solvent polymer solutions 1-gen-1997 RAOS, GUIDOALLEGRA, GIUSEPPE
Antiferromagnetic Spin Couplings in Cyclobutadiene Chains 1-gen-1997 RAOS, GUIDO +
Spin-Coupled Valence Bond Study of the Reaction between Benzene and a Methyl Cation 1-gen-1997 RAOS, GUIDO +
Rigid particles in an elastic polymer network : An electrical-analog approach 1-gen-1998 ALLEGRA, GIUSEPPERAOS, GUIDO
Filler particles in a rubber matrix: theory and computersimulations 1-gen-1999 RAOS, GUIDOALLEGRA, GIUSEPPE
Polymer Association in Poor Solvents: from Monomolecular Micelles to Clusters of Chains and Phase Separation 1-gen-1999 GANAZZOLI, FABIORAOS, GUIDO +
Rotational Barriers of Amides and Polyisocyanates: A Spin-Coupled Study 1-gen-1999 RAOS, GUIDO +
Mesoscopic bead-and-spring model of hard spherical particles in a rubber matrix. I. Hydrodynamic reinforcement 1-gen-2000 RAOS, GUIDOALLEGRA, GIUSEPPE
Halogen bonding in fluoroalkylhalides: a quantum chemical study of increasing fluorine substitution 1-gen-2000 RAOS, GUIDOMEILLE, STEFANO VALDOMETRANGOLO, PIERANGELORESNATI, GIUSEPPE +
Rigid filler particles in a rubber matrix: effective force constants by multipolar expansion 1-gen-2000 RAOS, GUIDOALLEGRA, GIUSEPPE +
Il legame ad alogeno: esempi di self-assembling e riconoscimento molecolare in sistemi complessi 1-gen-2001 MEILLE, STEFANO VALDORAOS, GUIDO +
Sali di omega-iodoalchilammonio come modificatori della silice: studio elettroforetico delle cariche superficiali 1-gen-2001 CITTERIO, ATTILIOMEILLE, STEFANO VALDORAOS, GUIDOSEBASTIANO, ROBERTO +
Degrees of chirality in helical structures 1-gen-2002 RAOS, GUIDO
Confined polymer networks: the harmonic approach 1-gen-2002 ALLEGRA, GIUSEPPERAOS, GUIDO
Substituent effects on the second-order hyperpolarisability of cyanine cations 1-gen-2002 RAOS, GUIDODEL ZOPPO, MIRELLA ELVIRA ANGELA
Side-chain role in Chemically Sensing Conducting Polymer Field-Effect Transistors. 1-gen-2003 RAOS, GUIDOMEILLE, STEFANO VALDO +
Polymer chains and networks in narrow slits: highlights of recent results 1-gen-2003 RAOS, GUIDO +
Polymer-mediated adhesion: a statistical approach 1-gen-2003 ALLEGRA, GIUSEPPERAOS, GUIDOMANASSERO, CARLO PIERINO
Application of the Christensen-Lo model to the reinforcement of elastomers by fractal fillers 1-gen-2003 RAOS, GUIDO
Computational reinvestigation of the bithiophene torsion potential 1-gen-2003 RAOS, GUIDOFAMULARI, ANTONINO +
Polymer chains and networks in narrow slits 1-gen-2004 ALLEGRA, GIUSEPPERAOS, GUIDOMANASSERO, CARLO PIERINO
Molecular modeling of crystalline oligothiophenes: testing and development of improved force fields 1-gen-2004 MARCON, VALENTINARAOS, GUIDO
Tetrathiophene on graphite: molecular dynamics simulations 1-gen-2004 MARCON, VALENTINARAOS, GUIDOALLEGRA, GIUSEPPE
Interplay of conformational states and non-bonded interactions in substituted bithiophenes 1-gen-2004 RAOS, GUIDOFAMULARI, ANTONINOMEILLE, STEFANO VALDOGALLAZZI, MARIA CARMELAALLEGRA, GIUSEPPE
Il "Bundle model" nella cristallizzazione dei polimeri 1-gen-2005 ALLEGRA, GIUSEPPEMEILLE, STEFANO VALDORAOS, GUIDO
Conformational analysis of 2,2'-bithiophene: a 1H liquid crystal NMR study using the 13C satellite spectra 1-gen-2005 RAOS, GUIDO +
Structure of model telechelic polymer melts by computer simulation 1-gen-2005 MANASSERO, CARLO PIERINORAOS, GUIDOALLEGRA, GIUSEPPE
Structure of an associating polymer melt in a narrow slit by molecular dynamics simulation 1-gen-2005 ALLEGRA, GIUSEPPERAOS, GUIDO +
Role of desorption in the growth process of molecular organic thin films 1-gen-2005 MARCON, VALENTINARAOS, GUIDO +
Functionalized oligothiophenes for optoelectronic applications: 3 ',4 ',3 ''',4 '''-tetra [(methoxycarbonyl)methyl]-2,2 ': 5 ',2 '': 5 '',2 ''': 5 ''',2 ''''-quinquithiophene and related polymers 1-gen-2005 MEILLE, STEFANO VALDORAOS, GUIDO +
Molecular dynamics simulation of bulk [Bmim]+[BF4]-: local structure and comparison with NMR data 1-gen-2006 MARCON, VALENTINAMELE, ANDREARAOS, GUIDO +
Sulla struttura locale di alcuni liquidi ionici modello: approccio integrato NMR e dinamica molecolare 1-gen-2006 MARCON, VALENTINAMELE, ANDREARAOS, GUIDO +
Stereochemically pure alfa-trifluoromethyl-malic hydroxamates: synthesis and evaluation as inhibitors of matrix metalloproteinases 1-gen-2006 RAOS, GUIDOMEILLE, STEFANO VALDOVOLONTERIO, ALESSANDRO +
Free energies of molecular crystal surfaces by computer simulations: application to tetrathiophene 1-gen-2006 MARCON, VALENTINARAOS, GUIDO
Organic-organic epitaxy of incommensurate systems: quaterthiophene on potassium hydrogen phthalate single crystals 1-gen-2006 MARCON, VALENTINARAOS, GUIDO +
Mostrati risultati da 1 a 50 di 135
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