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

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

(2012) Mohammad Goli et al.   THEORETICAL CHEMISTRY ACCOUNTS

Extracting elements of molecular structure from the all-particle wave function

(2011) Edit Mátyus et al.   JOURNAL OF CHEMICAL PHYSICS

Conductive dense hydrogen

(2011) M. I. Eremets et al.   NATURE MATERIALS

Metallization of solid hydrogen: the challenge and possible solutions

(2011) Dennis D. Klug et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the emergence of molecular structure

(2011) Edit Mátyus et al.   PHYSICAL REVIEW A

Kinetic Isotope Effects for the Reactions of Muonic Helium and Muonium with H2

(2011) D. G. Fleming et al.   SCIENCE

Chemical Kinetics Under Test

(2011) M. H. Alexander   SCIENCE

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

Definition of Molecular Structure: By Choice or by Appeal to Observation?

(2010) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Review of multicomponent molecular orbital method for direct treatment of nuclear quantum effect

(2009) Takayoshi Ishimoto et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The topological analysis of electronic charge densities: A reassessment of foundations

(2008) Payam Nasertayoob et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical rate constants and kinetic isotope effects in the reaction of methane with H, D, T, and Mu atoms

(2008) J. Espinosa-García   PHYSICAL CHEMISTRY CHEMICAL PHYSICS