On the Nature of the Positronic Bond

Binding Matter with Antimatter: The Covalent Positron Bond

(2018) Jorge Charry et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Why Bond Critical Points Are Not “Bond” Critical Points

(2018) Shant Shahbazian   CHEMISTRY-A EUROPEAN JOURNAL

Developing effective electronic-only coupled-cluster and Møller–Plesset perturbation theories for the muonic molecules

(2018) Mohammad Goli et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Revitalizing the concept of bond order through delocalization measures in real space

(2018) Carlos Outeiral et al.   Chemical Science

On electrostatics, covalency, and chemical dashes: physical interactions versus chemical bonds

(2018) Angel Martin Pendas et al.   CHEMISTRY-A EUROPEAN JOURNAL

The any particle molecular orbital approach: A short review of the theory and applications

(2018) Andrés Reyes et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Incorporating nuclear vibrational energies into the “atom in molecules” analysis: An analytical study

(2017) Masumeh Gharabaghi et al.   JOURNAL OF CHEMICAL PHYSICS

To What Extent are “Atoms in Molecules” Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?

(2016) Zahra Alimohammadi Keyvani et al.   CHEMISTRY-A EUROPEAN JOURNAL

Muon-Substituted Malonaldehyde: Transforming a Transition State into a Stable Structure by Isotope Substitution

(2016) Mohammad Goli et al.   CHEMISTRY-A EUROPEAN JOURNAL

Tracing the Fingerprint of Chemical Bonds within the Electron Densities of Hydrocarbons: A Comparative Analysis of the Optimized and the Promolecule Densities

(2016) Zahra Alimohammadi Keyvani et al.   CHEMPHYSCHEM

Extending the Domain-Averaged Exchange-Correlation Energies Within the Context of the MC-QTAIM: Tracing Subtle Variations Induced by Isotope Substitution

(2016) Mohammad Goli et al.   CHEMPHYSCHEM

Positron Binding Properties of Glycine and Its Aqueous Complexes

(2016) Mikko Nummela et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Hidden aspects of the Structural theory of chemistry: MC-QTAIM analysis reveals “alchemical” transformation from a triatomic to a diatomic structure

(2015) Mohammad Goli et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Where to place the positive muon in the Periodic Table?

(2015) Mohammad Goli et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths

(2014) Cina Foroutan-Nejad et al.   CHEMISTRY-A EUROPEAN JOURNAL

Multi-component molecular orbital study on positron attachment to alkali-metal hydride molecules: nature of chemical bonding and dissociation limits of [LiH; e+]

(2014) Takayuki Oyamada et al.   EUROPEAN PHYSICAL JOURNAL D

Theoretical investigation of a positron binding to an aspartame molecule using theab initiomulticomponent molecular orbital approach

(2014) Yuki Oba et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Calculation of positron binding energies using the generalized any particle propagator theory

(2014) Jonathan Romero et al.   JOURNAL OF CHEMICAL PHYSICS

Deciphering the “chemical” nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic table

(2014) Mohammad Goli et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical prediction of the binding of a positron to a formaldehyde molecule using a first-principles calculation

(2014) Yurika Yamada et al.   PHYSICAL REVIEW A

Calculation of positron binding energies of amino acids with the any-particle molecular-orbital approach

(2014) J. Charry et al.   PHYSICAL REVIEW A

Binding of a Positron to Nucleic Base Molecules and Their Pairs

(2013) Katsuhiko Koyanagi et al.   CHEMPHYSCHEM

Domain-Averaged Exchange-Correlation Energies as a Physical Underpinning for Chemical Graphs

(2013) M. García-Revilla et al.   CHEMPHYSCHEM

LOWDIN: The any particle molecular orbital code

(2013) Roberto Flores-Moreno et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Positron-attachment to nonpolar or small dipole CXY (X, Y = O, S, and Se) molecules: vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach

(2013) Katsuhiko Koyanagi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Defect identification in semiconductors with positron annihilation: Experiment and theory

(2013) Filip Tuomisto et al.   REVIEWS OF MODERN PHYSICS

The two-component quantum theory of atoms in molecules (TC-QTAIM): tensor formulation and its implications

(2013) Mohammad Goli et al.   THEORETICAL CHEMISTRY ACCOUNTS

Toward the multi-component quantum theory of atoms in molecules: a variational derivation

(2013) Mohammad Goli et al.   THEORETICAL CHEMISTRY ACCOUNTS

The two-component quantum theory of atoms in molecules (TC-QTAIM): the unified theory of localization/delocalization of electrons, nuclei, and exotic elementary particles

(2013) Mohammad Goli et al.   THEORETICAL CHEMISTRY ACCOUNTS

Systematic theoretical investigation of a positron binding to amino acid molecules using the ab initio multi-component molecular orbital approach

(2012) K. Koyanagi et al.   EUROPEAN PHYSICAL JOURNAL D

Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules: Multi-component molecular orbital study for vibrational excited states

(2012) Katsuhiko Koyanagi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules

(2012) Feng Wang et al.   NEW JOURNAL OF PHYSICS

Effect of positron–atom interactions on the annihilation gamma spectra of molecules

(2012) D G Green et al.   NEW JOURNAL OF PHYSICS

Positron binding to atoms and apolar molecules: A convergence of theory and experiment

(2012) Paulo H. R. Amaral et al.   PHYSICAL REVIEW A

Comparisons of Positron and Electron Binding to Molecules

(2012) J. R. Danielson et al.   PHYSICAL REVIEW LETTERS

The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations

(2012) Mohammad Goli et al.   THEORETICAL CHEMISTRY ACCOUNTS

Beyond the orthodox QTAIM: motivations, current status, prospects and challenges

(2012) Shant Shahbazian   Foundations of Chemistry

Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides

(2011) Yukiumi Kita et al.   JOURNAL OF CHEMICAL PHYSICS

Atoms in molecules: beyond Born–Oppenheimer paradigm

(2011) Mohammad Goli et al.   THEORETICAL CHEMISTRY ACCOUNTS

The quantum theory of atoms in positronic molecules: The subsystem variational procedure

(2010) Farnaz Heidar Zadeh et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The quantum theory of atoms in positronic molecules: A case study on diatomic species

(2010) Mohammad Goli et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Toward a regional quantum description of the positronic systems: Primary considerations

(2010) Payam Nasertayoob et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Bound states of the positron with nitrile species with a configuration interaction multi-component molecular orbital approach

(2010) Masanori Tachikawa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Positron-molecule interactions: Resonant attachment, annihilation, and bound states

(2010) G. F. Gribakin et al.   REVIEWS OF MODERN PHYSICS