Related references
Note: Only part of the references are listed.The connubium between crystallography and quantum mechanics
Piero Macchi
CRYSTALLOGRAPHY REVIEWS (2020)
Fast quantum crystallography
Walter Polkosnik et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)
The kernel energy method applied to quantum theory of atoms in molecules - energies of interacting quantum atoms
Lou Massa et al.
CHEMICAL PHYSICS LETTERS (2019)
Quantum Crystallography: A Perspective
Lou Massa et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Single Determinant N-Representability and the Kernel Energy Method Applied to Water Clusters
Walter Polkosnik et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Early Days of Quantum Crystallography: A Personal Account
Vladimir Tsirelson
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Exploiting the full quantum crystallography
Lou Massa et al.
CANADIAN JOURNAL OF CHEMISTRY (2018)
Quantum Crystallography: Current Developments and Future Perspectives
Alessandro Genoni et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
Quantum Crystallography: From the Intersection to the Union of Crystallography and Quantum Mechanics
Cherif F. Matta
JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks
Benjamin Meyer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Quantum crystallography
Simon Grabowsky et al.
CHEMICAL SCIENCE (2017)
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Benjamin Meyer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability
Benjamin Meyer et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
The kernel energy method (KEM) delivers fast and accurate QTAIM electrostatic charge for atoms in large molecules
Lulu Huang et al.
STRUCTURAL CHEMISTRY (2015)
Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges
Piero Macchi et al.
IUCRJ (2015)
A graphene flake under external electric fields reconstructed from field-perturbed kernels
Lulu Huang et al.
CARBON (2014)
Charge density analysis for crystal engineering
Anna Krawczuk et al.
CHEMISTRY CENTRAL JOURNAL (2014)
The Localization-Delocalization Matrix and the Electron-Density-Weighted Connectivity Matrix of a Finite Graphene Nanoribbon Reconstructed from Kernel Fragments
Matthew J. Timm et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Modern charge density studies: the entanglement of experiment and theory
Piero Macchi
CRYSTALLOGRAPHY REVIEWS (2013)
The Kernel Energy Method: Application to Graphene and Extended Aromatics
Lulu Huang et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
Methods for obtaining an electron-density matrix from X-ray diffraction data
W. L. Clinton et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Kernel energy method: Application to insulin
L Huang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Kernel energy method illustrated with peptides
LL Huang et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Frontier example in experimental charge density research: Experimental electrostatics of proteins
C Lecomte et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)
Chemical bonding in crystals: new directions
C Gatti
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Quantum crystallography, a developing area of computational chemistry extending to macromolecules
L Huang et al.
IBM JOURNAL OF RESEARCH AND DEVELOPMENT (2001)
Share Paper
