Results 181 to 190 of about 5,285 (207)

Transferability of Ligand Field Parameters in a Family of 3d-4f M₂Ln₂ Butterfly Single-Molecule Magnets. [PDF]

Inorg Chem
Mutschler J, Ruppert T, Strahringer J, Schlittenhardt S, Ali ZA, Peng Y, Anson CE, Ruben M, Powell AK, Waldmann O.   +9 more
europepmc   +1 more source

Computational Workflow to Unravel the Structural Dynamics of Supramolecular Metallacages in Solution. [PDF]

J Chem Theory Comput
Stebani JA, Iribarren Aguirre I, Siddiqui GA, Wragg D, Gagliardi A, Casini A.   +5 more
europepmc   +1 more source

Ultrafast Laser Shock Straining in Chiral Chain 2D Materials: Mold Topology-Controlled Anisotropic Deformation. [PDF]

Nanomicro Lett
Liu X, de Camargo Branco D, An L, Wang M, Jiang H, Wang R, Wu W, Cheng GJ.   +7 more
europepmc   +1 more source

l-DOPA-Containing Protein Autoxidation: An Empirical Valence Bond Simulation of the Rate-Limiting Step. [PDF]

J Phys Chem B
Oanca G, Prah A, Åqvist J, Mavri J.
europepmc   +1 more source

HOMAc: A Parameterization of the Harmonic Oscillator Model of Aromaticity (HOMA) That Includes Antiaromaticity. [PDF]

J Org Chem
Arpa EM, Stafström S, Durbeej B.
europepmc   +1 more source

The wavefront set: bounds for the Langlands parameter. [PDF]

Math Ann
Ciubotaru D, Kim JL.
europepmc   +1 more source

Gamma-ray spectra and absorbed doses measured at EuXFEL undulator system. [PDF]

J Synchrotron Radiat
Falowska-Pietrzak O, Hedqvist A, Hellberg F, Wolff-Fabris F, Bassler N.   +4 more
europepmc   +1 more source

Influence of Native Defects on the Structural, Electronic, Thermal, and Ionic Transport Properties of YBO_3 ± δ Perovskites. [PDF]

Inorg Chem
Martins NR, Santos AADG, Viana LAFC, Scolfaro L, Damasceno Borges D, Borges PD.   +5 more
europepmc   +1 more source

Top-Down versus Bottom-Up Approaches for σ-Functionals Based on the Approximate Exchange Kernel. [PDF]

J Phys Chem A
Lemke Y, Ochsenfeld C.
europepmc   +1 more source