Results 81 to 90 of about 8,581,160 (147)

Designing effective single-molecule electromagnets with radially π-conjugated carbon structures. [PDF]

Nat Commun
Shi W, Korytár R, Evers F, Tovar JD, Venkataraman L.   +4 more
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

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

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

Entropy (Basel)
Poddar A, Chattaraj PK.
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

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

Organometallics
Kelling L, Jörges M, Gessner VH.
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

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

Chem Sci
Salguero C, Lopez SA.
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

Orbital - Vol. 6 No. 2 - April-June 2014 [PDF]

, 2013
Production, Orbital, Orbital Production
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