The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods

The reductive coupling of dinitrogen

(2019) Marc-André Légaré et al.   SCIENCE

Hexagonal boron nitride nanosheet for effective ambient N2 fixation to NH3

(2019) Ya Zhang et al.   Nano Research

Topological analysis of electron localisation function: unlocking the nature of B-C chemical bond. Possible existence of multiple bonds B=C and B≡C

(2019) Grzegorz Mierzwa et al.   POLYHEDRON

New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community

(2019) Benjamin P. Pritchard et al.   Journal of Chemical Information and Modeling

Defect-rich, boron-nitrogen bonds-free and dual-doped graphenes for highly efficient oxygen reduction reaction

(2018) Weiming Wu et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré et al.   SCIENCE

The electronic structure of molecules with the BF and BCl bond in light of the topological analysis of electron localization function: Possibility of multiple bonds?

(2018) Grzegorz Mierzwa et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

On the nature of the boron–copper interaction. Topological study of the electron localisation function (ELF)

(2018) Grzegorz Mierzwa et al.   NEW JOURNAL OF CHEMISTRY

Hexagonal boron nitride monolayers on metal supports: Versatile templates for atoms, molecules and nanostructures

(2018) Willi Auwärter   SURFACE SCIENCE REPORTS

The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores

(2016) Carl Jacky Saint-Louis et al.   JOURNAL OF ORGANIC CHEMISTRY

BF3·OEt2-mediated alkenylation of pyrroles with α-oxo ketene dithioacetals

(2015) Xiaoge Yang et al.   TETRAHEDRON LETTERS

On the multiple BO bonding using the topological analysis of Electron Localisation Function (ELF)

(2015) Grzegorz Mierzwa et al.   Computational and Theoretical Chemistry

Triple zeta quality basis sets for atoms Rb through Xe: application in CCSD(T) atomic and molecular property calculations

(2012) C.T. Campos et al.   MOLECULAR PHYSICS

Molecular Networks Based on Dative Boron-Nitrogen Bonds

(2011) Erin Sheepwash et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dative boron–nitrogen bonds in structural supramolecular chemistry: multicomponent assembly of prismatic organic cages

(2011) Burcak Icli et al.   Chemical Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

On the multiple B–N bonding in boron compounds using the topological analysis of electron localization function (ELF)

(2010) Slawomir Berski et al.   NEW JOURNAL OF CHEMISTRY

Bond Paths Are Not Chemical Bonds

(2009) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Synthesis and structures of new 1,3,6,2-dioxazaborocanes containing substituents in the ocane fragment

(2009) E. Kh. Lermontova et al.   RUSSIAN CHEMICAL BULLETIN

Synthesis and Reactivity Studies of Iminoboryl Complexes

(2008) Holger Braunschweig et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS