Results 291 to 300 of about 746,739 (376)

Magnetization and Polarization of Coupled Nuclear Spins Ensembles at High Magnetic Fields

open access: yesChemPhysChem, EarlyView.
Herein, the magnetization of spins at high magnetic fields using various theoretical approaches is analyzed. The theorem is rigorously proved that the magnetization of individual spins is equivalent to the magnetization of coupled spins within a molecule.
Danila A. Barskiy, Andrey N. Pravdivtsev
wiley   +1 more source

Transcorrelated Theory with Pseudopotentials. [PDF]

open access: yesJ Chem Theory Comput
Simula K   +6 more
europepmc   +1 more source

Hamiltonian paths in oriented graphs

open access: bronze, 1976
Maria Overbeck-Larisch
openalex   +1 more source

Room‐Temperature Luminescence from a Biscyclometalated Platinum(II) Complex Bearing Radical as Ancillary Ligand

open access: yesChemPlusChem, EarlyView.
Biscyclometalated platinum(II) complex bearing a persistent radical is reported. The complex possesses a doublet emission excited state (D2) with a short excited state lifetime at room temperature and a long excited triplet (T1) excited state lifetime at 77 K.
Sandhya Verma   +6 more
wiley   +1 more source

How Donor–Bridge–Acceptor Orientation and Chemical Modification Affect the Thermally Activated Delayed Fluorescence Abilities of Boron‐Based Emitters

open access: yesChemPhotoChem, EarlyView.
Quantum chemistry has been used to investigate the key factors that determine the (reverse) intersystem crossing processes in boron‐based organic light‐emitting diode emitters. The ortho‐linked through‐space charge‐transfer compounds exhibit smaller singlet–triplet splittings than their para‐linked through‐bond charge‐transfer regioisomers.
Jeremy M. Kaminski   +2 more
wiley   +1 more source

Amplified quantum battery via dynamical modulation. [PDF]

open access: yesSci Rep
Hadipour M   +4 more
europepmc   +1 more source

Luminescent Dinuclear Chromium(III) Complexes with Ferromagnetic Exchange Interactions

open access: yesChemPhotoChem, EarlyView.
Highly luminescent CrIII complexes require large ligand field splitting and nearly perfect octahedral geometry. Ferromagnetically coupled dinuclear CrIII complexes rely on the interplay of the bridging units with the CrIII ions. Applying both molecular design principles yields luminescent CrIII dimers with ferromagnetic coupling (S = 3), a previously ...
Dennis Fritzler, Cui Wang
wiley   +1 more source

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