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

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

ChemPhysChem, 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]

J Chem Theory Comput
Simula K, Christlmaier EMC, Filip MA, Haupt JP, Kats D, Lopez-Rios P, Alavi A.   +6 more
europepmc   +1 more source

Hamiltonian paths in oriented graphs

, 1976
Maria Overbeck-Larisch
openalex   +1 more source

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

ChemPlusChem, 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, Robert Malmberg, Julien Langley, Kausala Mylvaganam, Nicholas Cox, Olivier Blacque, Koushik Venkatesan   +6 more
wiley   +1 more source

Compacting the Time Evolution of the Forced Morse Oscillator Using Dynamical Symmetries Derived by an Algebraic Wei-Norman Approach. [PDF]

J Chem Theory Comput
Hamilton JR, Remacle F, Levine RD.
europepmc   +1 more source

On the genus and connectivity of Hamiltonian graphs

, 1972
Richard A. Duke
openalex   +1 more source

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

ChemPhotoChem, 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, Tu V. Chu, Christel M. Marian   +2 more
wiley   +1 more source

Amplified quantum battery via dynamical modulation. [PDF]

Sci Rep
Hadipour M, Yousefi NN, Mortezapour A, Miavaghi AS, Haseli S.   +4 more
europepmc   +1 more source

Luminescent Dinuclear Chromium(III) Complexes with Ferromagnetic Exchange Interactions

ChemPhotoChem, 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

Topological transition on a conformal manifold for the quantum Ising model with a longer range interaction. [PDF]

Sci Rep
Sarkar S.
europepmc   +1 more source