Results 91 to 100 of about 1,042 (145)

Approximate Molecular Orbital Theory: The Hückel/Tight-binding Model

, 2021
Jochen Autschbach
core   +1 more source

Perturbing Pentalene: Aromaticity and Antiaromaticity in a Non-Alternant Polycyclic Aromatic Hydrocarbon and BN-Heteroanalogues. [PDF]

Chemphyschem
Anstöter CS, Fowler PW.
europepmc   +1 more source

Hückel molecular orbital (HMO) theory

, 2014

core   +1 more source

Information-Theoretic Perspectives on Chemical Problems: Recent Developments and Applications. [PDF]

Entropy (Basel)
Poddar A, Chattaraj PK.
europepmc   +1 more source

Interpreting Ring Currents from Hückel-Guided σ- and π-Electron Delocalization in Small Boron Rings. [PDF]

Molecules
Sacanamboy DS, García-Argote W, Pumachagua-Huertas R, Cárdenas C, Leyva-Parra L, Ruiz L, Tiznado W.   +6 more
europepmc   +1 more source

The Anionic States of Ubiquinone Characterized by Second-Order Approximate Coupled-Cluster Theory. [PDF]

J Comput Chem
Gascón M, Moorby RE, Jagau TC.
europepmc   +1 more source

Isolation of Base-Coordinated 1,4-Disilaquinones. [PDF]

Organometallics
Kelling L, Jörges M, Gessner VH.
europepmc   +1 more source

Singlet machine learning photodynamics reveal competing inversion paths of methylated cyclooctatetrathiophene. [PDF]

Chem Sci
Salguero C, Lopez SA.
europepmc   +1 more source

Inverse Design of 2D Altermagnetic Metal-Organic Framework Monolayers from Hückel Theory of Nonbonding Molecular Orbitals. [PDF]

JACS Au
Che Y, Chen Y, Liu X, Lv H, Wu X, Yang J.   +5 more
europepmc   +1 more source

Hückel Molecular Orbital Theory

core   +1 more source