Results 111 to 120 of about 36,506 (166)

Ground and Excited State Aromaticity in Azulene-Based Helicenes. [PDF]

Chemphyschem
Reyes AL, Ndiaye FN, Artigas A, Coquerel Y, Terrioux C, Prcovic N, Hagebaum-Reignier D, Carissan Y.   +7 more
europepmc   +1 more source

DNA base pairs: the effect of the aromatic ring on the strength of the Watson-Crick hydrogen bonding.

Org Biomol Chem
Nieuwland C, van Well MJ, Guillaumes L, de Vey Mestdagh A, Dekker L, Nieuweboer C, Simon S, Fonseca Guerra C.   +7 more
europepmc   +1 more source

Enhancing the Optically Detected Magnetic Resonance Signal of Organic Molecular Qubits. [PDF]

ACS Cent Sci
Poh YR, Yuen-Zhou J.
europepmc   +1 more source

An 18-Porphyrin Nanoring at the Size Limit for Global Aromaticity. [PDF]

J Am Chem Soc
Holmes JM, Gotfredsen H, Gödde L, Hergenhahn J, Rani K, Yamada KE, Deng JR, Warwick L, Clarke M, Edmondson M, O'Shea JN, Saywell A, Anderson HL.   +12 more
europepmc   +1 more source

Structures and Chemical Bonding of B₅O₇ ^+/0/- with a Hexagonal B₃O₃ Ring†. [PDF]

ACS Omega
Gao SJ, Hu C, Li F, Wang L.
europepmc   +1 more source

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Simple Hückel Molecular Orbital Theory for Möbius Carbon Nanobelts.

Journal of Physical Chemistry A
The recently synthesized Möbius carbon nanobelts (CNBs) have gained attention owing to their unique π-conjugation topology, which results in distinctive electronic properties with both fundamental and practical implications.
Yang-Dong Wang
semanticscholar   +1 more source

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

Quantum Theory for Chemical Applications, 2020
Huckel molecular orbital (HMO) theory is a simple approximate parameterized molecular orbital (MO) theory that has been very successful in organic chemistry and other fields.
J. Autschbach
semanticscholar   +1 more source

Graphical Representation of Hückel Molecular Orbitals

, 2020
In this paper, we develop a general but very simple mathematical foundation for the predefined coefficient graphical method of Huckel molecular orbital theory (HMO). We first present the general solution for the recurrence relation of the coefficients of
Zhenhua Chen
semanticscholar   +1 more source

Practical Training in Simple Hückel Theory: Matrix Diagonalization for Highly Symmetric Molecules and Visualization of Molecular Orbitals

Journal of Chemical Education, 2018
At an advanced stage of learning quantum chemistry, undergraduate students usually encounter simple Huckel-molecular-orbital (HMO) theory, whose primitive approach gives very useful insight into the electronic structure of π-conjugated molecules. However,
S. Nagaoka, Tatsunobu Kokubo, H. Teramae, U. Nagashima   +3 more
semanticscholar   +1 more source

Application of PBL Methodology in the Teaching of Hückel Molecular Orbital Theory in Structural Chemistry

Daxue Huaxue, 2023
Z. Xue, Jie Pan, Guoming Wang
semanticscholar   +1 more source