Haku
Aineistot 1531-1540 / 5730
Electronic spectroscopy of I2-Xe complexes in solid Krypton
(AIP, 2012)
In the present work, we have studied ion-pair states of matrix-isolated I2 with vacuum-UV absorption
and UV-vis-NIR emission, where the matrix environment is systematically changed by mixing
Kr with Xe, from pure Kr to ...
Electronic structure and elasticity of two-dimensional metals of group 10 : A DFT study
(IOP Publishing, 2023)
The discovery of two-dimensional (2D) iron monolayer in graphene pores stimulated experimental and computational material scientists to investigate low-dimensional elemental metals. There have been many advances in their ...
Electronic structure of quantum dots
(American Physical Society (APS), 2002)
Electronic structure of the glyoxalbis(2-hydroxyanil) (gha) ligand in [CoIII(gha)(PPh3)2]+: radical vs. non-radical states
(RSC, 2008)
The synthesis, structure and spectroscopic properties of a complex salt [CoIII(gha)(PPh3)2][CoIICl3(PPh3)]·C2H5OH (1) are reported; gha = glyoxalbis(2-hydroxyanil). This is the first single crystal X-ray structure of a ...
Electronic Structures and Molecular Properties of Chalcogen Nitrides Se2N2 and SeSN2
(ACS, 2005)
The electronic structures and molecular properties of S2N2 as well as the currently unknown chalcogen nitrides Se2N2 and SeSN2 have been studied using various ab initio and density functional methods. All molecules share ...
Electronic Structures and Spectroscopic Properties of 6π-Electron Ring Molecules and Ions E2N2 and E42+ (E = S, Se, Te)
(ACS, 2004)
The electronic structures and molecular properties of square-planar 6π-electron ring molecules and ions E2N2 and E42+ (E = S, Se, Te) were studied using various ab initio methods and density functionals. All species were ...
Electronic Structures of Main-Group Carbene Analogues
(ACS, 2007)
The electronic structures of 15 group 13−16 carbene analogues are analyzed using various quantum chemical methods and compared to the data obtained for the parent N-heterocyclic carbene (NHC), imidazol-2-ylidene. The results ...
Electronic transport in molecular junctions : The generalized Kadanoff–Baym ansatz with initial contact and correlations
(AIP Publishing, 2021)
The generalized Kadanoff–Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green’s functions. For finite systems, the ...
Electroweak baryogenesis at high bubble wall velocities
(American Physical Society, 2020)
It is widely believed that electroweak baryogenesis should be suppressed in strong phase transitions with fast-moving bubble walls, but this effect has never been quantitatively studied. We rederive fluid equations describing ...
Electroweak baryogenesis from a dark sector
(American Physical Society, 2017)
Adding an extra singlet scalar S to the Higgs sector can provide a barrier at tree level between a false vacuum with restored electroweak symmetry and the true one. This has been demonstrated to readily give a strong phase ...