Results 171 to 180 of about 32,713 (278)

Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters

Angewandte Chemie International Edition, Volume 64, Issue 41, October 6, 2025.
Standard DFT fails to capture the spin‐frustrated ground state of triangular Fe(III) metal–organic frameworks (MOFs), leading to distorted geometries and incorrect binding predictions. Using flip‐spin DFT, we identify the true ground state of MIL‐101(Fe) and show how magnetic frustration governs temperature‐dependent N2${\rm N}_{2}$ and CO binding ...
Patrick Lechner, Gaurab Ganguly, Michael J. Sahre, Georg Kresse, Johannes C. B. Dietschreit, Leticia González   +5 more
wiley   +1 more source

Exact solution and high-temperature series expansion study of the one-fifth-depleted square-lattice Ising model

, 2013
Simeon Hanks, Trinanjan Datta, J. Oitmaa
openalex   +2 more sources

Single-pixel quantum ghost imaging using generalized Ising model. [PDF]

Sci Rep
Oliaei-Moghadam H, Hosseini-Farzad M, TabeBordbar N.   +2 more
europepmc   +1 more source

Low-temperature series expansion of square lattice Ising model: A study based on Fisher zeros [PDF]

De-Zhang Li, Xin Wang, Xiao‐Bao Yang
openalex   +2 more sources

Quantum Speedups for Multiproposal MCMC. [PDF]

Bayesian Anal
Lin CY, Chen KC, Lemey P, Suchard MA, Holbrook AJ, Hsieh MH.   +5 more
europepmc   +1 more source

Numerical transfer-matrix study of surface-tension anisotropy in Ising models on square and cubic lattices [PDF]

, 1993
Howard L. Richards, M. A. Novotny, Per Arne Rikvold   +2 more
openalex   +1 more source

Mean-field theory of the general-spin Ising model. [PDF]

Eur Phys J B
Waldorp L, Pham T, van der Maas HLJ.
europepmc   +1 more source

Foundation neural-networks quantum states as a unified Ansatz for multiple hamiltonians. [PDF]

Nat Commun
Rende R, Viteritti LL, Becca F, Scardicchio A, Laio A, Carleo G.   +5 more
europepmc   +1 more source

Extrapolation procedure for low-temperature series for the square lattice spin-1 Ising model [PDF]

, 1996
Iwan Jensen, A J Guttmann
openalex   +1 more source

The algorithm for the partition function of the generalised Ising model on a square lattice [PDF]

, 1997
Piotr Kozłowski, G. Kamieniarz, Gilvanice Barbosa da Silva Musial   +2 more
openalex   +1 more source