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A Theoretical Study of Syndiospecific Styrene Polymerization with Cp-based and Cp-free Titanium Catalysts. 2. Mechanism of Chain-End Stereocontrol
2001-01-01 Minieri, G.; Corradini, P.; Guerra, Gaetano; Zambelli, A.; Cavallo, Luigi
A theoretical view on the thermodynamic cis-trans equilibrium of dihalo ruthenium olefin metathesis (pre-)catalysts
2015-01-01 Pump, Eva; Cavallo, Luigi; Slugovc, Christian
A THEORETICAL WALK IN THE UNCANNY HETEROGENEOUS WORLD: MANY QUESTIONS AND FEW ANSWERS
2005-01-01 Cavallo, Luigi
A versatile gold synthon for acetylene C-H bond activation
2010-01-01 G. C., Fortman; A., Poater; J., W: Levell; S., Gaillard; A. M., Slawin; I. D. W., Samuel; Cavallo, Luigi; S. P., Nolan
Ab Initio and Molecular Mechanics Study of Conformational Selectivity of Chlorinated Compounds Adsorbed in the Clathrate Phase of Syndiotactic Polystyrene. The Role of Electrostatic Host-Guest Interactions
2001-01-01 Milano, Giuseppe; Guerra, Gaetano; Cavallo, Luigi
Ab initio assessment of Bi1-xRExCuOS (RE = La, Gd, Y, Lu) solid solutions as a semiconductor for photochemical water splitting
2017-01-01 Lardhi, Sheikha; Curutchet, Antton; Cavallo, Luigi; Harb, Moussab; Le Bahers, Tangui
Ab inizio and molecular mechanics study of conformational selectivity of chlorinated compounds absorbed in the clathrate phase of syndiotactic polystyrene. The role of electrostatic host-guest interactions
2001-01-01 Milano, Giuseppe; Guerra, Gaetano; Cavallo, L.
Accuracy of DLPNO-CCSD(T) Method for Noncovalent Bond Dissociation Enthalpies from Coinage Metal Cation Complexes
2015-01-01 Minenkov, Yury; Chermak, Edrisse; Cavallo, Luigi
Accurate energies of hydrogen bonded nucleic acid base pairs and triplets in tRNA tertiary interactions
2006-01-01 Oliva, R; Cavallo, Luigi; Tramontano, A.
Accurate experimental and theoretical enthalpies of association of TiCl4with typical Lewis bases used in heterogeneous Ziegler-Natta catalysis
2017-01-01 Credendino, R.; Minenkov, Y.; Liguori, D.; Piemontesi, F.; Melchior, A.; Morini, G.; Tolazzi, M.; Cavallo, L.
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Opzioni
Scopri
Tipologia
- 1 Contributo su Rivista 374
- 1 Contributo su Rivista::1.1.2 Ar... 181
- 1 Contributo su Rivista::1.1.1 Ar... 167
- 4 Contributo in Atti convegno(ex ... 53
- 1 Contributo su Rivista::1.1 Arti... 26
- 4 Contributo in Atti convegno(ex ... 26
- 4 Contributo in Atti convegno(ex ... 18
- 2 Contributo in volume (exArticol... 9
- 2 Contributo in volume (exArticol... 8
- 4 Contributo in Atti convegno(ex ... 6
- 4 Contributo in Atti convegno(ex ... 3
- 2 Contributo in volume (exArticol... 1
- 7 Altro 1
- 7 Altro::7.12 Altro 1
Data di pubblicazione
- 2020 - 2023 27
- 2010 - 2019 254
- 2000 - 2009 130
- 1990 - 1999 25
- 1989 - 1989 1
Editore
- AMER CHEMICAL SOC, 1155 16TH ST, ... 2
- Wiley-VCH 2
- 15th European Symposium on Organi... 1
- American Chemical Society 1
- Coordinamento SIBA, Università de... 1
- Elsevier 1
- John Wiley & Sons 1
- Kluwer Academic Publishers 1
- Michal Dutkiewicz, Cezary Pietras... 1
- Prof. Kazushi Mashima 1
Rivista
- JOURNAL OF THE AMERICAN CHEMICAL ... 50
- ORGANOMETALLICS 43
- CHEMISTRY-A EUROPEAN JOURNAL 30
- MACROMOLECULES 25
- ACS CATALYSIS 21
- DALTON TRANSACTIONS 13
- ANGEWANDTE CHEMIE. INTERNATIONAL ... 11
- JOURNAL OF PHYSICAL CHEMISTRY. C 9
- CHEMICAL COMMUNICATIONS 8
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8
Keyword
- COMPLEXES 21
- CATALYSTS 15
- DENSITY-FUNCTIONAL THEORY 13
- GAUSSIAN-BASIS SETS 13
- APPROXIMATION 12
- LIGANDS 12
- Physical and Theoretical Chemistry 12
- density functional calculations 11
- MECHANISM 11
- N-HETEROCYCLIC CARBENE 11
Lingua
- eng 301
Accesso al fulltext
- no fulltext 430
- open 7