Zobrazeno 1 - 10
of 73
pro vyhledávání: '"Fan-Chen Liu"'
Publikováno v:
Chemical Physics. 546:111168
Conventional NMR is generally a technique for electronic ground state molecules. In this paper, the effect of electronic excitation on nuclear magnetic shielding is theoretically illustrated by Nuclear Spin Optical Rotation (NSOR) in liquids. The nea
Publikováno v:
In Chemical Physics 2004 305(1):165-174
Publikováno v:
Chemical Physics. 435:57-61
A recently proposed optical chemical shift in nuclear spin optical rotation (NSOR) is studied by theoretical comparison of NSOR magnitude between chemically non-equivalent or different element nuclei in the same molecule. Theoretical expressions of t
Publikováno v:
Journal of Chemical Physics; 10/8/2004, Vol. 121 Issue 14, p6835-6844, 10p, 1 Diagram, 1 Chart, 3 Graphs
Publikováno v:
Chemical Physics. 387:39-47
Based on the thought on the antisymmetric polarizability induced by nuclear magnetic moments and theory of the Faraday effect, an analytical theoretical expression is derived for the nuclear-spin-induced optical rotation (NSOR) of diamagnetic saturat
Publikováno v:
Chinese Journal of Chemical Physics. 23:573-581
The infrared absorption and 514.5 nm excited Raman spectra were measured for the metallo-tetra-(tert-butyl)-tetraazaporphyrin (MT(tBu)TAP, M=Cu, Co, Ni, Zn). The ground-state structures and vibrational spectra of MT(tBu)TAPs have been calculated at t
Publikováno v:
Chemical Physics Letters. 479:14-19
Relation between the optical detection of NMR signals by the Faraday and Cotton–Mouton effects in fluids and nuclear spin–spin coupling tensors is theoretically explored. An expression is derived for nuclear-spin-induced optical Cotton–Mouton (
Publikováno v:
Chinese Journal of Chemical Physics. 22:346-352
Resonance Raman spectra of aggregated meso-tetra(4-pyridinium)porphyrin diacid (H8TPyP6+) were studied with excitation near the exciton absorption bands of 470 nm. The UV-Vis absorption and resonance light scattering spectra of H8TPyP6+ monomers and
Publikováno v:
Chinese Journal of Chemical Physics. 21:32-38
The reaction of HO2NO2 (peroxynitric acid, PNA) with OH was studied by the hybrid density functional B3LYP and CBS-QB3 methods. Based on the calculated potential energy surface, five reaction channels, H2O+NO2+O2, HOOH+NO3, NO2+HO3H, HO2+HONO2 and HO
Publikováno v:
Chemical Physics Letters. 452:215-219
This Letter studies intensity relation between IR–UV doubly resonant sum-frequency vibrational spectra (DR-SFVS) and antisymmetric resonant vibrational Raman scattering, and gives an approximate expression of their intensity ratio. Based on the int