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Modern Charge-Density Analysis

1. Aufl., 2012

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Quantum Crystallography: Expectations vs Reality

Macchi, Piero

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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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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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), 2011, Vol.47 (28), p.7983

2011

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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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Quantum Crystallography

Macchi, Piero

1, 2022

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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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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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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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The Role of Hydrogen Bond in Designing Molecular Optical Materials

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

2016

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Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains

Inorganic chemistry, 2010-12, Vol.49 (23), p.10894-10901

2010

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Analysis of crystal field effects and interactions using X-ray restrained ELMOs

Journal of molecular structure, 2020-06, Vol.1209, p.127975, Article 127975

2020

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On generalized partition methods for interaction energies

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (42), p.24291-24298

2020

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Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities

Coordination chemistry reviews, 2003-03, Vol.238, p.383-412

2003

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The polarizability of organometallic bonds

Computational and theoretical chemistry, 2015-02, Vol.1053, p.165-172

2015

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Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study on l‑Serine

Journal of physical chemistry. C, 2015-08, Vol.119 (32), p.18611-18617

2015

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Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu 3 (BTC) 2 and Zn 3 (BTC) 2

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

2019

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Modern charge density studies: the entanglement of experiment and theory

Crystallography reviews, 2013-04, Vol.19 (2), p.58-101

Macchi, Piero

2013

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Four tetrairidiumcarbonylclusters linked by six diphosphino ligands: synthesis and X-ray structure of [{Ir4(CO)9}4(dppmb)6] (dppmb = 1,4-bis(diphenylphosphinomethyl)benzene

Dalton transactions : an international journal of inorganic chemistry, 2010, Vol.39 (5), p.1188-1190

2010

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Modern Charge-Density Analysis

Quantum Crystallography: Expectations vs Reality

Quantum Crystallography in the Last Decade: Developments and Outlooks

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

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)

The connubium between crystallography and quantum mechanics

Quantum Crystallography

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

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

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

The Role of Hydrogen Bond in Designing Molecular Optical Materials

Slow Relaxation of the Magnetization in Non-Linear Optical Active Layered Mixed Metal Oxalate Chains

Analysis of crystal field effects and interactions using X-ray restrained ELMOs

On generalized partition methods for interaction energies

Chemical bonding in transition metal carbonyl clusters: complementary analysis of theoretical and experimental electron densities

The polarizability of organometallic bonds

Kinetic Control of High-Pressure Solid-State Phase Transitions: A Case Study on l‑Serine

Electron Density and Dielectric Properties of Highly Porous MOFs: Binding and Mobility of Guest Molecules in Cu 3 (BTC) 2 and Zn 3 (BTC) 2

Modern charge density studies: the entanglement of experiment and theory

Four tetrairidiumcarbonylclusters linked by six diphosphino ligands: synthesis and X-ray structure of [{Ir4(CO)9}4(dppmb)6] (dppmb = 1,4-bis(diphenylphosphinomethyl)benzene

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