Sfoglia per Autore
Mechanistic study of the palladium - Phenanthroline catalyzed carbonylation of nitroarenes and amines: Palladium - Carbonyl intermediates and bifunctional effects
2009-01-01 Ragaini, Fabio; Gasperini, Michela; Cenini, Sergio; Arnera, Lucia; Caselli, Alessandro; Macchi, Piero; Casati, Nicola
On the interpretation of the source function
2009-01-01 Farrugia, Louis J.; Macchi, Piero
Resonance structures and electron density analysis
2009-01-01 Macchi, Piero
Resonanzstrukturen und Elektronendichteanalyse
2009-01-01 Macchi, Piero
Synthesis, spectroscopic, and x-ray characterization of rhenium carbonyl complexes with different silsesquioxanes, as models that mimic the chemical behavior and the topology of the silica surface
2009-01-01 Dragonetti, Claudia; Carlucci, Lucia; D'Alfonso, Giuseppe; Lucenti, Elena; Macchi, Piero; Roberto, Dominique; Sironi, Angelo; Ugo, Renato
Electron density distribution in organometallic materials
2009-01-01 Macchi, Piero
Hydrogen migration in oxalic acid di-hydrate at high pressure?
2009-01-01 Casati, Nicola; Macchi, Piero; Sironi, Angelo
Molecular crystals under high pressure: Theoretical and experimental investigations of the solid-solid phase transitions in [Co2(CO)6(XPh3)2] (X = P, As)
2009-01-01 Casati, Nicola; Macchi, Piero; Sironi, Angelo
Four tetrairidium carbonyl clusters linked by six diphosphino ligands: Synthesis and X-ray structure of [Ir4(CO)94(dppmb)6] (dppmb = 1,4-bis(diphenylphosphinomethyl) benzene
2010-01-01 Peli, Giulia; Daghetta, Matteo; Macchi, Piero; Sironi, Angelo; Garlaschelli, Luigi
Chiral cyclopropylamines in the synthesis of new ligands; First asymmetric Alkyl-BIAN compounds
2010-01-01 Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola
Ab initio quantum chemistry and semi-empirical description of solid state phases under high pressure: Chemical applications
2010-01-01 Macchi, Piero
Slow relaxation of the magnetization in non-linear optical active layered mixed metal oxalate chains
2010-01-01 Cariati, Elena; Ugo, Renato; Santoro, Giuseppe; Tordin, Elisa; Sorace, Lorenzo; Caneschi, Andrea; Sironi, Angelo; Macchi, Piero; Casati, Nicola
Stabilization through p-dimethylaminobenzaldehyde of a new NLO-active phase of [E-4-(4-dimethylaminostyryl)-1-methylpyridinium] iodide: Synthesis, structural characterization and theoretical investigation of its electronic properties
2010-01-01 Nunzi, Francesca; Fantacci, Simona; Cariati, Elena; Tordin, Elisa; Casati, Nicola; Macchi, Piero
The α and β forms of oxalic acid di-hydrate at high pressure: A theoretical simulation and a neutron diffraction study
2010-01-01 Macchi, Piero; Casati, Nicola; Marshall, William G.; Sironi, Angelo
Bonding in classical and nonclassical transition metal carbonyls: The interacting quantum atoms perspective
2010-01-01 Tiana, Davide; Francisco, E.; Blanco, M. A.; Macchi, P.; Sironi, Angelo; Martín Pendás, A.
Mapping palladium reduction by carbon monoxide in a catalytically relevant system. a novel palladium(I) dimer
2011-01-01 Ragaini, Fabio; Larici, Heros; Rimoldi, Martino; Caselli, Alessandro; Ferretti, Francesco; Macchi, Piero; Casati, Nicola
Low-energy contamination of Mo microsource X-ray radiation: Analysis and solution of the problem
2011-01-01 Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
High pressure modification of organic NLO materials: Large conformational re-arrangement of 4-aminobenzophenone
2011-01-01 Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo
Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)
2011-01-01 Bennett, Thomas D.; Simoncic, Petra; Moggach, Stephen A.; Gozzo, Fabia; Macchi, Piero; Keen, David A.; Tan, Jin-Chong; Cheetham, Anthony K.
Restoring orbital thinking from real space descriptions: Bonding in classical and non-classical transition metal carbonyls
2011-01-01 Tiana, Davide; Francisco, E.; Blanco, M. A.; Macchi, P.; Sironi, Angelo; Pendás, A. Martín
On the nature of chemical bonding in γ-boron
2011-01-01 Macchi, P.
Thermal, spectroscopic, and ab initio structural characterization of carprofen polymorphs
2011-01-01 Bruni, Giovanna; Gozzo, Fabia; Capsoni, Doretta; Bini, Marcella; Macchi, Piero; Simoncic, Petra; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Ferrari, Stefania; Marini, Amedeo
Synthesis, reactivity, electrochemical behavior, and crystal structure of a family of multivalent metal carbido-carbonyl clusters based on the Rh10(C)2Au4-6framework
2012-01-01 Cherchi, Laura; Fumagalli, Alessandro; Fedi, Serena; Zanello, Piero; Fabrizi De Biani, Fabrizia; Laschi, Franco; Garlaschelli, Luigi; Macchi, Piero; Sironi, Angelo
A guided tour through modern charge density analysis
2012-01-01 Gatti, Carlo; Macchi, Piero
Bond orders in metal-metal interactions through electron density analysis
2012-01-01 Farrugia, Louis J.; Macchi, Piero
Modern charge-density analysis
2012-01-01 Gatti, Carlo; Macchi, Piero
Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X2]" (X = Cl, Br, I) complexes: A neutral and an ionic form exist
2012-01-01 Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola
Insights into the mechanism of the ruthenium-porphyrin-catalysed allylic amination of olefins by aryl azides
2012-01-01 Intrieri, Daniela; Caselli, Alessandro; Ragaini, Fabio; Macchi, Piero; Casati, Nicola; Gallo, Emma
Cryo-crystallography: Diffraction at low temperature and more
2012-01-01 Macchi, Piero
Electron density building block approach for metal organic frameworks
2013-01-01 Chimpri, Abita S.; Macchi, Piero
Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*)
2013-01-01 Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro
Cooperative effects of electron donors and acceptors for the stabilization of elusive metal cluster frameworks: Synthesis and solid-state structures of [Pt19(CO)24(μ4-AuPPh3)3]-and [Pt19(CO)24μ4-Au2(PPh3)22]
2013-01-01 Ceriotti, Alessandro; Macchi, Piero; Sironi, Annalisa; El Afefey, Simona; Daghetta, Matteo; Fedi, Serena; De Biani, Fabrizia Fabrizi; Della Pergola, Roberto
Stereoselectivity of additions to N-methyl acetonitrilium fluorosulfonate
2013-01-01 Keese, Reinhart; Berdat, François; Macchi, Piero
The structure of some [4.5.5.5]fenestranes
2013-01-01 Macchi, Piero; Jing, Wang; Guidetti-Grept, Regine; Keese, Reinhart
Modern charge density studies: The entanglement of experiment and theory
2013-01-01 Macchi, Piero
Correlation between accurate electron density and linear optical properties in amino acid derivatives: L-histidinium hydrogen oxalate
2013-01-01 Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero
Photoluminescence of the first examples of metal-organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: An experimental and theoretical study
2014-01-01 Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio
Charge density analysis for crystal engineering
2014-01-01 Krawczuk, Anna; Macchi, Piero
PolaBer: A program to calculate and visualize distributed atomic polarizabilities based on electron density partitioning
2014-01-01 Krawczuk, Anna; Pérez, Daniel; Macchi, Piero
New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]
2014-01-01 Lanza, A.; Fiolka, C.; Fisch, M.; Casati, N.; Skoulatos, M.; Rüegg, C.; Krämer, K. W.; Macchi, Piero
Synthesis of biologically relevant compounds by ruthenium porphyrin catalyzed amination of benzylic C-H bonds
2014-01-01 Zardi, Paolo; Caselli, Alessandro; Macchi, Piero; Ferretti, Francesco; Gallo, Emma
Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density
2014-01-01 Dos Santos, Leonardo H. R.; Genoni, Alessandro; Macchi, Piero
An "off-axis" Mn-Mn bond in Mn2(CO)10at high pressure
2014-01-01 Macchi, Piero; Casati, Nicola; Evans, Shaun R.; Gozzo, Fabia; Simoncic, Petra; Tiana, Davide
Crystallographic approaches for the investigation of molecular materials: Structure property relationships and reverse crystal engineering
2014-01-01 Macchi, Piero
Easy entry into reduced Ar-BIANH2compounds: A new class of quinone/hydroquinone-type redox-active couples with an easily tunable potential
2014-01-01 Viganó, Marta; Ferretti, Francesco; Caselli, Alessro; Ragaini, Fabio; Rossi, Manuela; Mussini, Patrizia; Macchi, Piero
Distributed atomic polarizabilities of amino acids and their hydrogen-bonded aggregates
2015-01-01 Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero
Solid-State Reversible Nucleophilic Addition in a Highly Flexible MOF
2015-01-01 Lanza, Arianna; Germann, Luzia S.; Fisch, Martin; Casati, Nicola; Macchi, Piero
Six questions on topology in theoretical chemistry
2015-01-01 Ayers, Paul L.; Boyd, Russell J.; Bultinck, Patrick; Caffarel, Michel; Carbó-Dorca, Ramon; Causá, Mauro; Cioslowski, Jerzy; Contreras-Garcia, Julia; Cooper, David L.; Coppens, Philip; Gatti, Carlo; Grabowsky, Simon; Lazzeretti, Paolo; Macchi, Piero; Martín Pendás, Ángel; Popelier, Paul L. A.; Ruedenberg, Klaus; Rzepa, Henry; Savin, Andreas; Sax, Alexander; Schwarz, W. H. Eugen; Shahbazian, Shant; Silvi, Bernard; Solà, Miquel; Tsirelson, Vladimir
Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study on l-Serine
2015-01-01 Fisch, Martin; Lanza, Arianna; Boldyreva, Elena; Macchi, Piero; Casati, Nicola
An Interacting Quantum Atoms Analysis of the Metal-Metal Bond in [M2 (CO)8 ]n Systems
2015-01-01 Tiana, Davide; Francisco, E.; Macchi, P.; Sironi, Angelo; Martín Pendás, A.
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