Results 221 to 230 of about 36,457 (313)

Symmetry of Hamiltonian Systems

Asian Journal of Earth Sciences, 2009
P. Sharma, V.G. Gupta
openaire   +2 more sources

Strong Magnetic Coupling and Single‐Molecule Magnet Behavior in Tetrazinyl Radical‐Bridged Metallocenes

Chemistry – A European Journal, EarlyView.
The combination of 3,6‐bis(2‐pyrimidyl)‐1,2,4,5‐tetrazine with Ln metallocenes led to the isolation of two new radical‐bridged dinuclear complexes. Strong magnetic Ln–rad coupling was observed, which afforded zero‐field SMM behavior for the Dy analogue. Abstract Exchange coupling is essential in defining the magnetic behavior of polymetallic lanthanide‐
Neha Bajaj, Niki Mavragani, Alexandros A. Kitos, Rezeda Gayfullina, Jani O. Moilanen, Muralee Murugesu   +5 more
wiley   +1 more source

The impact of quantum circuit architecture and hyperparameters on variational quantum algorithms exemplified in the electronic structure of the GaAs crystal. [PDF]

Sci Rep
Miháliková I, Krejčí M, Friák M.
europepmc   +1 more source

Implicit Hamiltonian systems with symmetry [PDF]

, 1998
Arjan van der Schaft
openalex   +1 more source

Mono‐ IrIII versus heterobimetallic IrIII‐AuI complexes for circularly polarized luminescence

Chemistry – A European Journal, Accepted Article.
Fundamental rationalization of the structural–circularly polarized luminescence (CPL) activity relationship is a challenging task. Herein, a pair of enantiopure, heterobimetallic IrIII–AuI complexes IrAu‐4 featuring chirality‐at‐metal is thoroughly investigated by means of spectroscopical and computational techniques, also including spin‐orbital ...
Lavinia Ballerini, Christophe Gourlaouen, Mathias Delporte--Pebay, Cristina Cebrián Ávila, Émilie Voirin, Vincent César, Stéphane Bellemin-Laponnaz, Jeanne Crassous, Chantal Daniel, Matteo Mauro   +9 more
wiley   +1 more source

A Cost-Effective Treatment of Spin-Orbit Couplings in the State-Averaged Driven Similarity Renormalization Group Second-Order Perturbation Theory. [PDF]

Molecules
Wang M, Li C.
europepmc   +1 more source

Quantum-classical correspondence via Liouville dynamics. II. Correspondence for chaotic Hamiltonian systems [PDF]

, 1997
Joshua Wilkie, Paul Brumer
openalex   +1 more source

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

ChemMedChem, EarlyView.
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah, Muhammet Eren Ulug, Serdar Durdağı   +2 more
wiley   +1 more source

Simulating the non-Hermitian dynamics of financial option pricing with quantum computers. [PDF]

Sci Rep
Kumar S, Wilmott CM.
europepmc   +1 more source

Hamiltonian structure of the Vlasov-Einstein system and the problem of stability for spherical relativistic star clusters

, 1992
Henry E. Kandrup, P. J. Morrison
openalex   +2 more sources