Results 71 to 80 of about 738 (133)

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

Kekulé Counts, Clar Numbers, and ZZ Polynomials for All Isomers of (5,6)-Fullerenes C₅₂-C₇₀. [PDF]

Molecules
Witek HA, Podeszwa R.
europepmc   +1 more source

Topological and Spectral Properties of Wavy Zigzag Nanoribbons. [PDF]

Molecules, 2022
Arockiaraj M, Fiona JC, Kavitha SRJ, Shalini AJ, Balasubramanian K.   +4 more
europepmc   +1 more source

Valence Bond Theory-Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects. [PDF]

Molecules, 2021
Shaik S, Danovich D, Hiberty PC.
europepmc   +1 more source

Cluj and related polynomials in tori [PDF]

, 2012
Diudea, Mircea V., Klavžar, Sandi, Nagy, Csaba L., Žigert Pleteršek, Petra   +3 more
core  

High brightness in bis(tri-isopropylsilyl)ethynyl-functionalized polycyclic aromatic hydrocarbons: localized representation <i>versus</i> Clar's model. [PDF]

Chem Sci
Dhbaibi K, Le Thi H, Marrot J, Hayakawa M, Mamada M, Frigoli M.   +5 more
europepmc   +1 more source

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database. [PDF]

J Cheminform, 2023
Vaitkus A, Merkys A, Sander T, Quirós M, Thiessen PA, Bolton EE, Gražulis S.   +6 more
europepmc   +1 more source

Energy Decomposition Scheme for Rectangular Graphene Flakes. [PDF]

Nanomaterials (Basel)
Hendra, Witek HA.
europepmc   +1 more source

Ring Currents in the Clar Goblet Calculated Using Configurational State Averaging. [PDF]

J Phys Chem A
Dickens TK, Mallion RB, Fowler PW, Pickup BT, Mowll-Clarke J.   +4 more
europepmc   +1 more source

Preferential molecular recognition of heterochiral guests within a cyclophane receptor. [PDF]

Nat Commun, 2023
Weh M, Shoyama K, Würthner F.
europepmc   +1 more source