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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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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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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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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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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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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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Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I

Acta crystallographica. Section A, Foundations of crystallography, 2001-11, Vol.57 (6), p.656-662

2001

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Ultrafast Vibrational Response of Activated C–D Bonds in a Chloroform–Platinum(II) Complex

The journal of physical chemistry letters, 2022-05, Vol.13 (20), p.4447-4454

2022

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High pressure behaviour of the organic semiconductor salt (TTF-BTD)2I3

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (45), p.31410-31417

2023

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Formate-mediated magnetic superexchange in the model hybrid perovskite [(CH 3 ) 2 NH 2 ]Cu(HCOO) 3

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020-10, Vol.8 (37), p.12840-12847

2020

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Quantum Crystallography: Current Developments and Future Perspectives

Chemistry : a European journal, 2018-08, Vol.24 (43), p.10881-10905

2018

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Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co6X(CO)16]− Species

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-06, Vol.122 (22), p.5004-5015

2018

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Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-04, Vol.119 (13), p.3285-3298

2015

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Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides

Chemphyschem, 2020-10, Vol.21 (19), p.2155-2165

2020

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On the Interpretation of the Source Function

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (37), p.10058-10067

2009

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Pressure-induced Jahn-Teller switch in the homoleptic hybrid perovskite [(CH)NH]Cu(HCOO): orbital reordering by unconventional degrees of freedom

Journal of materials chemistry. C, Materials for optical and electronic devices, 2021-07, Vol.9 (25), p.851-856

2021

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The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

1, 2007

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Electron density building block approach for metal organic frameworks

Physica scripta, 2013-04, Vol.87 (4), p.48105-9

2013

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Structure of the superconducting high-pressure phase of Sc3CoC4

Physical review. B, 2021-05, Vol.103 (18), p.1

2021

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The Electron Density of Bridging Hydrides Observed via Experimental and Theoretical Investigations on [Cr2(μ2-H)(Co)10]

Journal of the American Chemical Society, 2005-11, Vol.127 (47), p.16494-16504

2005

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Exploring the Electronic Structure of an Organic Semiconductor Based on a Compactly Fused Electron Donor-Acceptor Molecule

Chemphyschem, 2015-05, Vol.16 (7), p.1361-1365

2015

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Modelling the experimental electron density : only the synergy of various approaches can tackle the new challenge

IUCrJ, 2015-04

2015

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Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S = 1 quantum antiferromagnet

Physical review. B, 2017-04, Vol.95 (13), p.134435, Article 134435

2017

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Modern Charge-Density Analysis

Quantum Crystallography: Expectations vs Reality

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

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

On generalized partition methods for interaction energies

Modern charge density studies: the entanglement of experiment and theory

Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I

Ultrafast Vibrational Response of Activated C–D Bonds in a Chloroform–Platinum(II) Complex

High pressure behaviour of the organic semiconductor salt (TTF-BTD)2I3

Formate-mediated magnetic superexchange in the model hybrid perovskite [(CH 3 ) 2 NH 2 ]Cu(HCOO) 3

Quantum Crystallography: Current Developments and Future Perspectives

Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co6X(CO)16]− Species

Distributed Atomic Polarizabilities of Amino Acids and their Hydrogen-Bonded Aggregates

Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides

On the Interpretation of the Source Function

Pressure-induced Jahn-Teller switch in the homoleptic hybrid perovskite [(CH)NH]Cu(HCOO): orbital reordering by unconventional degrees of freedom

The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

Electron density building block approach for metal organic frameworks

Structure of the superconducting high-pressure phase of Sc3CoC4

The Electron Density of Bridging Hydrides Observed via Experimental and Theoretical Investigations on [Cr2(μ2-H)(Co)10]

Exploring the Electronic Structure of an Organic Semiconductor Based on a Compactly Fused Electron Donor-Acceptor Molecule

Modelling the experimental electron density : only the synergy of various approaches can tackle the new challenge

Combining microscopic and macroscopic probes to untangle the single-ion anisotropy and exchange energies in an S = 1 quantum antiferromagnet

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