Results 71 to 80 of about 3,659 (130)

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

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

Aggregation Induced Effects on the Nonradiative Recombination Dynamics of Inverted Singlet-Triplet Heptazine-Based Materials. [PDF]

J Phys Chem A
de Thieulloy L, Oliboni RS, de Silva P, Rego LGC.   +3 more
europepmc   +1 more source

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

Holographic nature of critical quantum states of proteins. [PDF]

Comput Struct Biotechnol J
Papp E, Vattay G.
europepmc   +1 more source

SMILES all around: structure to SMILES conversion for transition metal complexes. [PDF]

J Cheminform
Rasmussen MH, Strandgaard M, Seumer J, Hemmingsen LK, Frei A, Balcells D, Jensen JH.   +6 more
europepmc   +1 more source

Azuperylene: The Nonalternant Isomer of Perylene. [PDF]

Angew Chem Int Ed Engl
Liu S, Díaz-Fernández M, Zhang M, Huang F, Chen Y, Yang Y, Marín-Beloqui JM, Lan J, You J, Casado J, Zhang C.   +10 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

Personal recollections of a quantum chemist. [PDF]

Chem Sci
Weinhold F.
europepmc   +1 more source

Quantum Interference Supernodes, Thermoelectric Enhancement, and the Role of Dephasing. [PDF]

Entropy (Basel)
Bergfield JP.
europepmc   +1 more source