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1

Two-step emergence: the quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry

Matta, Chérif F., Lombardi, Olimpia, Jaimes Arriaga, Jesús

Journal:

Foundations of Chemistry

Year:

2020

Language:

english

File:

PDF, 1.29 MB

english, 2020

2

The Quantum Theory of Atoms in Molecules || An Introduction to the Quantum Theory of Atoms in Molecules

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 404 KB

english, 2007

3

Sustained Energy for Enhanced Human Functions and Activity || Information Theory and the Thermodynamic Efficiency of Biological Sorting Systems

Matta, Chérif F.

Year:

2017

Language:

english

File:

PDF, 1.38 MB

english, 2017

4

An Experimentalist's Reply to “What Is an Atom in a Molecule?”

Matta, Chérif F., Bader, Richard F. W.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 55 KB

english, 2006

5

The Quantum Theory of Atoms in Molecules || Solid State Applications of QTAIM and the Source Function– Molecular Crystals, Surfaces, Host–Guest Systems and Molecular Complexes

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 590 KB

english, 2007

6

The Quantum Theory of Atoms in Molecules || The Lagrangian Approach to Chemistry

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 164 KB

english, 2007

7

Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization

Matta, Chérif F., Hernández-Trujillo, Jesús

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 245 KB

english, 2003

8

Quantum Biochemistry (MATTA:QUANTUM BIOCHEM 2V O-BK) || Quantum Kernels and Quantum Crystallography: Applications in Biochemistry

Matta, Chérif F.

Year:

2010

Language:

english

File:

PDF, 1.09 MB

english, 2010

9

Where To Draw the Line in Defining a Molecular Structure

Bader, Richard F. W., Matta, Chérif F., Cortés-Guzmán, Fernando

Journal:

Organometallics

Year:

2004

Language:

english

File:

PDF, 252 KB

english, 2004

10

Quantum Biochemistry (MATTA:QUANTUM BIOCHEM 2V O-BK) || Quantum Indeterminism, Mutation, Natural Selection, and the Meaning of Life

Matta, Chérif F.

Year:

2010

Language:

english

File:

PDF, 353 KB

english, 2010

11

Modeling biophysical and biological properties from the characteristics of the molecular electron density, electron localization and delocalization matrices, and the electrostatic potential

Matta, Chérif F.

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 615 KB

english, 2014

12

Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization.

Matta, Chérif F., Hernández-Trujillo, Jesús

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 9 KB

english, 2005

13

Electron localization-delocalization matrices in the prediction of pKa's and UV-wavelengths of maximum absorbance of p-benzoic acids and the definition of super-atoms in molecules

Sumar, Ismat, Ayers, Paul W., Matta, Chérif F.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.42 MB

english, 2014

14

Localization-delocalization matrices and electron density-weighted adjacency matrices: new electronic fingerprinting tools for medicinal computational chemistry

Matta, Chérif F

Journal:

Future Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.52 MB

english, 2014

15

AIM LDM: A Program to Generate and Analyze Electron Localization-Delocalization Matrices (LDMs)

Sumar, Ismat, Cook, Ronald, Ayers, Paul W., Matta, Chérif F.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 1.74 MB

english, 2015

16

Energy Equivalence of Information in the Mitochondrion and the Thermodynamic Efficiency of ATP Synthase

Matta, Chérif F., Massa, Lou

Journal:

Year:

2015

Language:

english

File:

PDF, 789 KB

english, 2015

17

Non-nuclear Attractors in Heteronuclear Diatomic Systems

Terrabuio, Luiz Alberto, Teodoro, Tiago Quevedo, Matta, Cherif F., Haiduke, Roberto Luiz Andrade

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 645 KB

english, 2016

18

Notes on The Energy Equivalence of Information

Matta, Cherif F., Massa, Lou

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 422 KB

english, 2017

19

Ask the experts: computational chemistry

Matta, Chérif F, Hutter, Michael C

Journal:

Future Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 171 KB

english, 2018

20

An Atoms-In-Molecules study of the genetically-encoded amino acids: I. Effects of conformation and of tautomerization on geometric, atomic, and bond properties

Chérif F. Matta, Richard F.W. Bader

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2000

Language:

english

File:

PDF, 382 KB

english, 2000

21

The Quantum Theory of Atoms in Molecules || Applications of the Quantum Theory of Atoms in Molecules in Organic Chemistry– Charge Distribution, Conformational Analysis and Molecular Interactions

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 284 KB

english, 2007

22

The Quantum Theory of Atoms in Molecules || Interactions Involving Metals– From“Chemical Categories” to QTAIM, and Backwards

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 626 KB

english, 2007

23

The Quantum Theory of Atoms in Molecules || Fragment Transferability Studied Theoretically and Experimentally with QTAIM– Implications for Electron Density and Invariom Modeling

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 487 KB

english, 2007

24

The Quantum Theory of Atoms in Molecules || Topological Analysis of Proteins as Derived from Medium and High-resolution Electron Density: Applications to Electrostatic Properties

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 607 KB

english, 2007

25

The Quantum Theory of Atoms in Molecules || Interpretation of Experimental Electron Densities by Combination of the QTAMC and DFT

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 444 KB

english, 2007

26

The Quantum Theory of Atoms in Molecules || QTAIM Analysis of Raman Scattering Intensities: Insights into the Relationship Between Molecular Structure and Electronic Charge Flow

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 245 KB

english, 2007

27

The Quantum Theory of Atoms in Molecules || Atomic Response Properties

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 496 KB

english, 2007

28

The Quantum Theory of Atoms in Molecules || Fleshing-out Pharmacophores with Volume Rendering of the Laplacian of the Charge Density and Hyperwall Visualization Technology

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 381 KB

english, 2007

29

The Quantum Theory of Atoms in Molecules || Aromaticity Analysis by Means of the Quantum Theory of Atoms in Molecules

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 313 KB

english, 2007

30

The Quantum Theory of Atoms in Molecules || QTAIM in Drug Discovery and Protein Modeling

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 346 KB

english, 2007

31

The Quantum Theory of Atoms in Molecules || Relationships between QTAIM and the Decomposition of the Interaction Energy– Comparison of Different Kinds of Hydrogen Bond

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 161 KB

english, 2007

32

The Quantum Theory of Atoms in Molecules || Topological Properties of the Electron Distribution in Hydrogen-bonded Systems

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 253 KB

english, 2007

33

The Quantum Theory of Atoms in Molecules || Topology and Properties of the Electron Density in Solids

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 273 KB

english, 2007

34

The Quantum Theory of Atoms in Molecules || The ELF Topological Analysis Contribution to Conceptual Chemistry and Phenomenological Models

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

35

The Quantum Theory of Atoms in Molecules || Topological Atom–Atom Partitioning of Molecular Exchange Energy and its Multipolar Convergence

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 201 KB

english, 2007

36

The Quantum Theory of Atoms in Molecules || Atoms in Molecules Theory for Exploring the Nature of the Active Sites on Surfaces

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 766 KB

english, 2007

37

The Quantum Theory of Atoms in Molecules || Related Titles

Matta, Chérif F., Boyd, Russell J.

Year:

2007

File:

PDF, 14 KB

2007

38

The Quantum Theory of Atoms in Molecules || Index

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 82 KB

english, 2007

39

The Quantum Theory of Atoms in Molecules || Front Matter

Matta, Chérif F., Boyd, Russell J.

Year:

2007

Language:

english

File:

PDF, 432 KB

english, 2007

40

Hydrogen–Hydrogen Bonding: A Stabilizing Interaction in Molecules and Crystals

Chérif F. Matta, Jesús Hernández-Trujillo, Ting-Hua Tang, Richard F. W. Bader

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 446 KB

english, 2003

41

Cover Picture: Hydrogen–Hydrogen Bonding: A Stabilizing Interaction in Molecules and Crystals (Chem. Eur. J. 9/2003)

Chérif F. Matta, Jesús Hernández-Trujillo, Ting-Hua Tang, Richard F. W. Bader

Journal:

Chemistry - A European Journal

Year:

2003

Language:

english

File:

PDF, 25 KB

english, 2003

42

Application of the Quantum Theory of Atoms in Molecules to Selected Physicochemical and Biophysical Problems: Focus on Correlation with Experiment

Cherif F. Matta

Journal:

Year:

2003

File:

PDF, 51 KB

2003

43

Atoms in Medicinal Chemistry

Richard F. W. Bader, Cherif F. Matta, Fernando J. Martin

Journal:

Year:

2004

File:

PDF, 48 KB

2004

44

Fluorine—Fluorine Spin—Spin Coupling Constants in Aromatic Compounds: Correlations with the Delocalization Index and with the Internuclear Separation.

Norberto Castillo, Cherif F. Matta, Russell J. Boyd

Journal:

Year:

2005

File:

PDF, 8 KB

2005

45

Application of the quantum theory of atoms in molecules to selected physico-chemical and biophysical problems: Focus on correlation with experiment

Chérif F. Matta

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

46

Comparison of localization and delocalization indices obtained with Hartree–Fock and conventional correlated methods: Effect of Coulomb correlation

Yi-Gui Wang, Cherif F. Matta, Nick Henry Werstiuk

Journal:

Journal of Computational Chemistry

Year:

2004

File:

PDF, 29 KB

2004

47

Comparison of localization and delocalization indices obtained with Hartree–Fock and conventional correlated methods: Effect of Coulomb correlation

Yi-Gui Wang, Cherif Matta, Nick Henry Werstiuk

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 123 KB

english, 2003

48

How dependent are molecular and atomic properties on the electronic structure method? Comparison of Hartree-Fock, DFT, and MP2 on a biologically relevant set of molecules

Chérif F. Matta

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 3.11 MB

english, 2010

49

Twisted amides: X-ray crystallographic and theoretical study of two acylated glycolurils with aromatic substituents

Chérif F. Matta, Christopher N. Cow, Paul H.M. Harrison

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 664 KB

english, 2003

50

Protonation sequence of linear aliphatic polyamines from intramolecular atomic energies and charges

Ignacy Cukrowski, Chérif F. Matta

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 333 KB

english, 2011