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Modern Charge-Density Analysis

1. Aufl., 2012

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Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2

Journal of the American Chemical Society, 2019-06, Vol.141 (23), p.9382-9390

2019

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Quantum Crystallography: Expectations vs Reality

Macchi, Piero

2022

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Pitfalls in the location of guest molecules in metal-organic frameworks

Nature communications, 2022-09, Vol.13 (1), p.5288-5288, Article 5288

2022

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Quantum Crystallography in the Last Decade: Developments and Outlooks

Crystals (Basel), 2020-06, Vol.10 (6), p.473

2020

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Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal

Nature communications, 2016-03, Vol.7 (1), p.10901-10901, Article 10901

2016

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Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)

Chemical communications (Cambridge, England), , Vol.47 (28), p.7983

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Quantum Crystallography

Macchi, Piero

1, 2022

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The connubium between crystallography and quantum mechanics

Crystallography reviews, 2020-10, Vol.26 (4), p.209-268

Macchi, Piero

2020

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The key intermediate in the amination of saturated C–H bonds: synthesis, X-ray characterization and catalytic activity of Ru(TPP)(NAr)2 (Ar = 3,5-(CF3)2C6H3)

Chemical communications (Cambridge, England), 2009 (26), p.3952

2009

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Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (3), p.1014-1018

2019

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Six questions on topology in theoretical chemistry

Computational and theoretical chemistry, 2015-02, Vol.1053, p.2-16

2015

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Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

IUCrJ, 2018-01, Vol.5 (Pt 1), p.32-44

2018

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The Dielectric Behavior of Protected HKUST-1

Chemistry an international journal, 2022-06, Vol.4 (2), p.576-591

2022

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Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets

Journal of the American Chemical Society, 2016-02, Vol.138 (7), p.2280-2291

2016

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Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation

Crystals (Basel), 2021-02, Vol.11 (2), p.207

2021

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Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X2]" (X = Cl, Br, I) complexes: a neutral and an ionic form exist

Dalton transactions : an international journal of inorganic chemistry, 2012-04, Vol.41 (13), p.3648-3658

2012

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Comments on 'Hydrogen bonds in crystalline d-alanine: diffraction and spectroscopic evidence for differences between enantiomers'

IUCrJ, 2018-09, Vol.5 (Pt 5), p.654-657

2018

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J(Si,H) Coupling Constants of Activated Si–H Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-09, Vol.121 (38), p.7219-7235

2017

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

IUCrJ, 2017-03, Vol.4 (Pt 2), p.136-146

2017

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The Role of Hydrogen Bond in Designing Molecular Optical Materials

Crystals (Basel), 2016-04, Vol.6 (4), p.43

2016

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New magnetic frameworks of [(CuF2(H2O)2)(x)(pyz)]

Chemical communications (Cambridge, England), 2014-01, Vol.50 (93), p.14504-14507

2014

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Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds

Journal of the American Chemical Society, 1998-12, Vol.120 (51), p.13429-13435

1998

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Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]

Journal of the American Chemical Society, 2002-11, Vol.124 (47), p.14173-14184

2002

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Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: l‑Histidinium Hydrogen Oxalate

Crystal growth & design, 2013-07, Vol.13 (7), p.2995-3010

2013

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Modern Charge-Density Analysis

Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu3(BTC)2 and Zn3(BTC)2

Quantum Crystallography: Expectations vs Reality

Pitfalls in the location of guest molecules in metal-organic frameworks

Quantum Crystallography in the Last Decade: Developments and Outlooks

Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal

Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)

Quantum Crystallography

The connubium between crystallography and quantum mechanics

The key intermediate in the amination of saturated C–H bonds: synthesis, X-ray characterization and catalytic activity of Ru(TPP)(NAr)2 (Ar = 3,5-(CF3)2C6H3)

Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3

Six questions on topology in theoretical chemistry

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

The Dielectric Behavior of Protected HKUST-1

Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets

Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation

Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X2]" (X = Cl, Br, I) complexes: a neutral and an ionic form exist

Comments on 'Hydrogen bonds in crystalline d-alanine: diffraction and spectroscopic evidence for differences between enantiomers'

J(Si,H) Coupling Constants of Activated Si–H Bonds

Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

The Role of Hydrogen Bond in Designing Molecular Optical Materials

New magnetic frameworks of [(CuF2(H2O)2)(x)(pyz)]

Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds

Electron Density of Semi-Bridging Carbonyls. Metamorphosis of CO Ligands Observed via Experimental and Theoretical Investigations on [FeCo(CO)8]

Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: l‑Histidinium Hydrogen Oxalate

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