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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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Quantum Crystallography

1, 2023

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

Journal of computational chemistry, 2014-06, Vol.35 (16), p.1165-1198

Matta, Chérif F.

2014

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Effects of Intense Electric Fields on the Double Proton Transfer in the Watson–Crick Guanine–Cytosine Base Pair

The journal of physical chemistry. B, 2018-09, Vol.122 (37), p.8631-8641

2018

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The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules

The Journal of chemical physics, 2013-10, Vol.139 (14), p.144101-144101

2013

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Electron Localization-Delocalization Matrices

2024

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Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (23), p.4720-4731

2020

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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

Journal of computational chemistry, 2010-04, Vol.31 (6), p.1297-1311

Matta, Chérif F

2010

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Quantum crystallography: A perspective

Journal of computational chemistry, 2018-06, Vol.39 (17), p.1021-1028

2018

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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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Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (30), p.13738-13748

2011

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Notes on The Energy Equivalence of Information

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-11, Vol.121 (47), p.9131-9135

2017

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Tuning Novel NaLaS2(1–x)(Se or Te)2x Alloys as Light-Absorbing Materials by Dopant-Induced Crystallographic Phase and Electronic Structure Transitions

Journal of physical chemistry. C, 2023-09, Vol.127 (35), p.17532-17544

2023

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Molecular Model with Quantum Mechanical Bonding Information

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.12991-12997

2011

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The Localization–Delocalization Matrix and the Electron-Density-Weighted Connectivity Matrix of a Finite Graphene Nanoribbon Reconstructed from Kernel Fragments

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-11, Vol.118 (47), p.11304-11316

2014

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Establishing new diffuse interstellar band correlations to identify common carriers

Monthly notices of the Royal Astronomical Society, 2021-11, Vol.507 (4), p.5236-5245

2021

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Are size and mitochondrial power of cells inter-determined?

Journal of theoretical biology, 2023-09, Vol.572, p.111565-111565, Article 111565

2023

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Quantum crystallography: From the intersection to the union of crystallography and quantum mechanics

Journal of computational chemistry, 2018-06, Vol.39 (17), p.1019-1020

Matta, Chérif F.

2018

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Nonnuclear Attractors in Heteronuclear Diatomic Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-03, Vol.120 (8), p.1168-1174

2016

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Spontaneous Reduction of a Hydroborane To Generate a B−B Single Bond by the Use of a Lewis Pair

Angewandte Chemie (International ed.), 2016-10, Vol.55 (41), p.12722-12726

International ed. in English, 2016

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Two projector triple products in quantum crystallography

International journal of quantum chemistry, 2022-02, Vol.122 (4), p.n/a

2022

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RbCeX2 Crystal (X = S, Se, Te): Pressure-Induced Spin-Selective Gapless Transition and Response Properties

Journal of alloys and compounds, 2022-03, Vol.898, p.162760, Article 162760

2022

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Prebiotic N-(2-Aminoethyl)-Glycine (AEG)-Assisted Synthesis of Proto-RNA?

Journal of molecular evolution, 2024-08, Vol.92 (4), p.449-466

2024

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On the Unusual Synclinal Conformations of Hexafluorobutadiene and Structurally Similar Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-05, Vol.122 (18), p.4538-4548

2018

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A graphene flake under external electric fields reconstructed from field-perturbed kernels

Carbon (New York), 2014-09, Vol.76, p.310-320

2014

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

Quantum Crystallography

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

Effects of Intense Electric Fields on the Double Proton Transfer in the Watson–Crick Guanine–Cytosine Base Pair

The chemical bond in external electric fields: energies, geometries, and vibrational Stark shifts of diatomic molecules

Electron Localization-Delocalization Matrices

Manipulation of Diatomic Molecules with Oriented External Electric Fields: Linear Correlations in Atomic Properties Lead to Nonlinear Molecular Responses

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

Quantum crystallography: A perspective

Quantum Crystallography: Current Developments and Future Perspectives

Effects of external electric fields on double proton transfer kinetics in the formic acid dimer

Notes on The Energy Equivalence of Information

Tuning Novel NaLaS2(1–x)(Se or Te)2x Alloys as Light-Absorbing Materials by Dopant-Induced Crystallographic Phase and Electronic Structure Transitions

Molecular Model with Quantum Mechanical Bonding Information

The Localization–Delocalization Matrix and the Electron-Density-Weighted Connectivity Matrix of a Finite Graphene Nanoribbon Reconstructed from Kernel Fragments

Establishing new diffuse interstellar band correlations to identify common carriers

Are size and mitochondrial power of cells inter-determined?

Quantum crystallography: From the intersection to the union of crystallography and quantum mechanics

Nonnuclear Attractors in Heteronuclear Diatomic Systems

Spontaneous Reduction of a Hydroborane To Generate a B−B Single Bond by the Use of a Lewis Pair

Two projector triple products in quantum crystallography

RbCeX2 Crystal (X = S, Se, Te): Pressure-Induced Spin-Selective Gapless Transition and Response Properties

Prebiotic N-(2-Aminoethyl)-Glycine (AEG)-Assisted Synthesis of Proto-RNA?

On the Unusual Synclinal Conformations of Hexafluorobutadiene and Structurally Similar Molecules

A graphene flake under external electric fields reconstructed from field-perturbed kernels

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