Results 71 to 80 of about 8,581,160 (147)

Dual-Scandium-Capped Boron Cage: Structural and Electronic Properties of B₁₀Sc₂. [PDF]

ACS Omega
Gao SJ, Hu C, Li F, Shen EJ, Shi WK, Wang JX.   +5 more
europepmc   +1 more source

The Mechanism of Covalent Bonding: Analysis within the Hückel Model of Electronic Structure

, 2007
The correct description and interpretation of covalent bonding require a quantum mechanical approach. Hückel molecular orbital theory, the simplest quantum mechanical model of molecular electronic structure, is (and in an accompanying online article ...
Bäck, Andreas,, Nordholm, Sture,, Bacskay, G B   +2 more
core  

Impacts of Quinone Structure on Trade-Offs Between Redox Potential and CO₂ Binding Strength. [PDF]

Chemphyschem
Taylor JS, Forse AC, Thom AJW.
europepmc   +1 more source

Modulating Quantum Interference in Coronene-Based Molecular Junctions via Isoelectronic B-N Substitution at Selective Positions and Patterns. [PDF]

J Phys Chem Lett
Ahmed R, Leitherer S, Solomon GC.
europepmc   +1 more source

Topological classification of cycloadditions occurring on-surface and in the solid-state. [PDF]

Commun Chem
Li J, Mirzanejad A, Dong WH, Liu K, Richter M, Wang XY, Berger R, Du S, Du S, Auwärter W, Barth JV, Ma J, Müllen K, Feng X, Sun JT, Muechler L, Palma CA.   +16 more
europepmc   +1 more source

Decoding Chemical Resonance in π‑Conjugated Systems. [PDF]

ACS Phys Chem Au
Szczepanik DW, Wieczorkiewicz PA.
europepmc   +1 more source

Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene. [PDF]

J Phys Chem A
Dickens TK, Mallion RB.
europepmc   +1 more source

Orbital - Vol. 6 No. 3 - July-September 2014 [PDF]

, 2014
Production, Orbital, Orbital Production
core  

Triple Pancake Bonding in Neutral π-Conjugated Dimers: a Computational Study. [PDF]

J Am Chem Soc
Cui LJ, Kertesz M, Cui ZH.
europepmc   +1 more source

Tools for Understanding Molecular Orbital Interactions of Molecules on SurfacesDensity Functional Theory Calculations of H₂ Adsorbed on Cu(111) and Pd/Cu(111). [PDF]

Ind Eng Chem Res
Simpson SM, Mulvey DM.
europepmc   +1 more source