Results 111 to 120 of about 8,581,160 (147)

Magnetic Coupling in Non-Kekulé Diradical Hydrocarbons via Multiconfigurational Pair-Density Functional Theory. [PDF]

J Chem Theory Comput
Rodrigues GLS, Delcey MG, Solomon GC, Hedegård ED, Leitherer S.   +4 more
europepmc   +1 more source

Quantum Computing Calculations of Protein-Ligand Binding Energies Using Decomposition Methods on Simulated and Real Quantum Hardware. [PDF]

J Chem Inf Model
Kitajima H, Bistafa C, Kobayashi T, Kanno S, Okada O, Murasaki K, Koyama J, Saito R, Gao Q.   +8 more
europepmc   +1 more source

Room-Temperature Gas-Phase CO₂-to-C₃ Coupling by a 4f-Aromatic Cluster. [PDF]

Angew Chem Int Ed Engl
Zhang FX, Li XW, Li NZ, He SG, Zhang YC, Xing LL, Truhlar DG, Ma JB.   +7 more
europepmc   +1 more source

A Writhed Möbius Nanobelt Derived from [7]Helicene. [PDF]

J Am Chem Soc
Ye L, Hu C, Yang D, Zhang L, Chen X, Qiao L, Huang Z, Yang J, Miao Q.   +8 more
europepmc   +1 more source

Rethinking the Nature and Extent of Inductive Effects in Organic Compounds. [PDF]

J Chem Educ
Elliott MC, Johnson EC, Gregory KP, Hughes CE.   +3 more
europepmc   +1 more source

Carbenes Embedded in Cyclic Paraphenylenes: Detection, Ground-State Spin Multiplicity, and Möbius Aromaticity. [PDF]

J Am Chem Soc
Kajikawa K, Martins FA, Murata R, Kayahara E, Yamago S, Wu JI, Abe M.   +6 more
europepmc   +1 more source

Personal recollections of a quantum chemist. [PDF]

Chem Sci
Weinhold F.
europepmc   +1 more source

Particle-Hole Symmetry Breaking in Nitrogen-Decorated Triphenylmethyl Radical Emitters. [PDF]

J Phys Chem A
Rizzo AG, Barreca MT, Di Maiolo F.
europepmc   +1 more source

Twisted 1- and 2-Azaperopyrenes: Synthesis, Structure, and Properties. [PDF]

Chemistry
Molenda R, Vardanyan A, Villinger A, Ehlers P, Langer P.   +4 more
europepmc   +1 more source

Hückel Molecular Orbital Theory

core   +1 more source