Sfoglia per Autore
The polarizability of organometallic bonds
2015-01-01 Macchi, Piero; Krawczuk, Anna
The benefits of one-dimensional detectors for high-pressure powder X-ray diffraction
2015-01-01 Fisch, Martin; Lanza, Arianna; Macchi, Piero; Casati, Nicola
Exploring the electronic structure of an organic semiconductor based on a compactly fused electron donor-acceptor molecule
2015-01-01 Alemany, Pere; Canadell, Enric; Geng, Yan; Hauser, Jürg; Macchi, Piero; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia
Modelling the experimental electron density: Only the synergy of various approaches can tackle the new challenges
2015-01-01 Macchi, Piero; Gillet, Jean-Michel; Taulelle, Francis; Campo, Javier; Claiser, Nicolas; Lecomte, Claude
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
Organometallic Reactivity of [Silver(I)(Pyridine-Containing Ligand)] Complexes Relevant to Catalysis
2015-01-01 Pedrazzini, Tommaso; Pirovano, Paolo; Dell'Acqua, Monica; Ragaini, Fabio; Illiano, Pasquale; Macchi, Piero; Abbiati, Giorgio; Caselli, Alessandro
Optical properties of metal-organic networks from distributed atomic polarizabilities
2016-01-01 Ernst, Michelle; Dos Santos, Leonardo H. R.; Macchi, Piero
The role of hydrogen bond in designing molecular optical materials
2016-01-01 Dos Santos, Leonardo H. R.; Macchi, Piero
Synthesis and catalytic activity of μ-oxo ruthenium(IV) porphyrin species to promote amination reactions
2016-01-01 Zardi, Paolo; Intrieri, Daniela; Carminati, Daniela Maria; Ferretti, Francesco; Macchi, Piero; Gallo, Emma
Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal
2016-01-01 Casati, Nicola; Kleppe, Annette; Jephcoat, Andrew P.; Macchi, Piero
Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets
2016-01-01 Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero
Chemical Bonding and reactions in molecular crystals at high-pressure
2017-01-01 Macchi, Piero
Why Refining Wave Functions from Experiments?
2017-01-01 Macchi, Piero
The future of topological analysis in experimental charge-density research
2017-01-01 Macchi, Piero
Cluster analysis of functional-group polarizabilities
2017-01-01 Ernst, Michelle; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero
Binding guest molecules to frameworks: pressure-induced chemisorption in breathing MOFs
2017-01-01 Lanza, Arianna; Germann, Luzia; Fisch, Martin; Casati, Nicola; Macchi, Piero
Electron density and dielectric properties of highly porous MOFs
2017-01-01 Scatena, Rebecca; Guntern, Yannick Thomas; Macchi, Piero
Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S=1 quantum antiferromagnet
2017-01-01 Brambleby, Jamie; Manson, Jamie L.; Goddard, Paul A.; Stone, Matthew B.; Johnson, Roger D.; Manuel, Pascal; Villa, Jacqueline A.; Brown, Craig M.; Lu, Helen; Chikara, Shalinee; Zapf, Vivien; Lapidus, Saul H.; Scatena, Rebecca; Macchi, Piero; Chen, Yu-Sheng; Wu, Lai-Chin; Singleton, John
Exploring charge density analysis in crystals at high pressure: Data collection, data analysis and advanced modelling
2017-01-01 Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?
2017-01-01 Genoni, Alessandro; Dos Santos, Leonardo H. R.; Meyer, Benjamin; Macchi, Piero
Periodical trends in [Co6E(CO)16]- clusters: Structural, synthetic and energy changes produced by substitution of P with As
2017-01-01 Della Pergola, Roberto; Sironi, ANNALISA NATALINA; Colombo, Valentina; Garlaschelli, Luigi; Racioppi, Stefano; Sironi, Angelo; Macchi, Piero
Weak donor–acceptor intermolecular interactions under pressure: the NO2...NO2 case
2017-01-01 Montisci, Fabio; Lanza, Arianna; Casati, Nicola; Macchi, Piero
J(Si,H) Coupling Constants of Activated Si-H Bonds
2017-01-01 Meixner, Petra; Batke, Kilian; Fischer, Andreas; Schmitz, Dominik; Eickerling, Georg; Kalter, Marcel; Ruhland, Klaus; Eichele, Klaus; Barquera-Lozada, José E.; Casati, Nicola P. M.; Montisci, Fabio; Macchi, Piero; Scherer, Wolfgang
Comments on `Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers'
2018-01-01 Bürgi, Hans-Beat; Macchi, Piero
Quasi-2D Heisenberg antiferromagnets [CuX(pyz)2](BF4) with X = Cl and Br
2018-01-01 Kubus, Marius; Lanza, Arianna; Scatena, Rebecca; Dos Santos, Leonardo; Wehinger, Björn; Casati, Nicola; Fiolka, Christoph; Keller, Lukas; Macchi, Piero; Ruegg, Christian; Krämer, Karl
Reaction of arylhydroxylamines with [Pd(Neoc)(NO3)2] (Neoc = neocuproine). Non-innocent behavior of the nitrate anion
2018-01-01 Ferretti, F.; Rimoldi, M.; Ragaini, F.; Macchi, P.
Probing accuracy and precision of Hirshfeld Atom Refinement with HARt interfaced to Olex2
2018-01-01 Fugel, M.; Jayatilaka, D.; Hupf, E.; Overgaard, J.; Hathwar, V. R.; Macchi, P.; Turner, M. J.; Howard, J. A. K.; Dolomanov, O. V.; Puschmann, H.; Iversen, B. B.; Bürgi, H. B.; Grabowsky, S.
Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co6X(CO)16]- Species
2018-01-01 Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P.
NO2···NO2 Contacts under Compression: Testing the Forces in Soft Donor-Acceptor Interactions
2018-01-01 Montisci, Fabio; Lanza, Arianna; Casati, Nicola; Macchi, Piero
A Chiral Ligand Accessible in One Step: Synthesis of bis-((R)-(+)-Bornyl)acenaphthenequinonediimine and of its Zinc and Nickel Complexes.
2018-01-01 Viganò, M.; Ferretti, F.; Ragaini, F.; Macchi, P.
Experimental and theoretical electron density of intermediates in palladium-phenanthroline catalyzed carbonylation of amines and reductive carbonylation of nitroarenes
2018-01-01 Macchi, P.; Ragaini, F.; Casati, N.; Krawczuk, A.; Sironi, A.
Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder
2018-01-01 Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A.
Quantum Crystallography: Current Developments and Future Perspectives
2018-01-01 Genoni, A.; Bucinsky, L.; Claiser, N.; Contreras-Garcia, J.; Dittrich, B.; Dominiak, P. M.; Espinosa, E.; Gatti, C.; Giannozzi, P.; Gillet, J. -M.; Jayatilaka, D.; Macchi, P.; Madsen, A. O.; Massa, L. J.; Matta, C. F.; Merz, K. M.; Nakashima, P. N. H.; Ott, H.; Ryde, U.; Schwarz, K.; Sierka, M.; Grabowsky, S.
Polarization, Inner and Outer Field, and Surface Charge Compensation of a Molecular Crystal
2018-01-01 Hesterberg, Rolf; Macchi, Piero; Hulliger, Jürg
The roots of quantum crystallography
2018-01-01 Macchi, Piero
Giant Pressure Dependence and Dimensionality Switching in a Metal-Organic Quantum Antiferromagnet
2018-01-01 Wehinger, B.; Fiolka, C.; Lanza, A.; Scatena, R.; Kubus, M.; Grockowiak, A.; Coniglio, W. A.; Graf, D.; Skoulatos, M.; Chen, J. -H.; Gukelberger, J.; Casati, N.; Zaharko, O.; Macchi, P.; Krämer, K. W.; Tozer, S.; Mudry, C.; Normand, B.; Rüegg, and Ch.
Are There molecules in crystals?
2019-01-01 Macchi, Piero
Quantum information from experimental crystallography
2019-01-01 Macchi, Piero
Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2and Zn3(BTC)2
2019-01-01 Macchi, Piero; Scatena, Rebecca; Guntern, Yannick
Pressure-Induced Polymerization and Electrical Conductivity of a Polyiodide
2019-01-01 Poręba, Tomasz; Ernst, Michelle; Zimmer, Dominik; Macchi, Piero; Casati, Nicola
Towards a generalized database of atomic polarizabilities
2019-01-01 Ernst, Michelle; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero
Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3
2019-01-01 Huddart, Benjamin M.; Brambleby, Jamie; Lancaster, Tom; Goddard, Paul A.; Xiao, Fan; Blundell, Stephen J.; Pratt, Francis L.; Singleton, John; Macchi, Piero; Scatena, Rebecca; Barton, Alyssa M.; Manson, Jamie L.
Topological and electrostatic properties of diclofenac molecule as a non-steroidal anti-inflammatory drug: An experimental and theoretical study
2019-01-01 Devi, R. N.; Stephen, A. D.; Justin, P.; Saravanan, K.; Macchi, P.; Jelsch, C.
Pressure-induced polymerization and electrical conductivity of a polyiodide
2019-01-01 Macchi, Piero; Poreba, Tomasz; Ernst, Michelle; Casati, Nicola
Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2
2019-01-01 Scatena, Rebecca; Guntern, Yannick T; Macchi, Piero
Formate-mediated Magnetic Superexchange in the Model Hybrid Perovskite [(CH3)2NH2]Cu(HCOO)
2020-01-01 Scatena, Rebecca; Johnson, Roger; Macchi, Piero
Quantum Crystallography
2020-01-01 Macchi, Piero
CRISTALLOGRAFIA, QUO VADIS? UNA SCIENZA ANTICA, UNA TECNOLOGIA MODERNA
2020-01-01 Macchi, Piero
LA CRISTALLOGRAFIA QUANTISTICA: APPLICAZIONI IN ELETTRONICA E SPINTRONICA
2020-01-01 Macchi, Piero
Analysis of crystal field effects and interactions using X-ray restrained ELMOs
2020-01-01 Ernst, M.; Genoni, A.; Macchi, P.
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