Results 71 to 80 of about 36,506 (166)

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 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

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

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

Effect of size, charge, and spin state on Hückel and Baird aromaticity in [<i>N</i>]annulenes. [PDF]

Chem Sci
Van Nyvel L, Alonso M, Solà M.
europepmc   +1 more source

Self-consistent field convergence for proteins:a comparison of full and localized-molecular-orbital schemes [PDF]

, 2014
Clark, Tim, Hennemann, Matthias, Stewart, James, Wick, Christian   +3 more
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

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

Cost-Effective Multi-Channel MolOrbImage for Machine-Learned Excited-State Properties of Practical Photofunctional Materials. [PDF]

J Chem Theory Comput
Chen Z, Lam J, Yam VW.
europepmc   +1 more source

Change of the aromatic nature through face-to-face stacking. [PDF]

Chem Sci
Wang Q, Nasibullin RT, Sundholm D.
europepmc   +1 more source

Application of the Transfer Matrix Method to the Hückel Molecular Orbital Analysis of Complex Conjugated Molecules

, 1972
Yuji Jido, T. Inagaki, H. Fukutome
semanticscholar   +1 more source