CO binding to hemoglobin: Spin‐tunneling temperature dependence, Fe electronic states, and electronic effects on nonadiabatic dynamics

1988 ◽  
Vol 88 (10) ◽  
pp. 6228-6232 ◽  
Author(s):  
Bernard S. Gerstman
Keyword(s):  
Temperature Dependence ◽  
Electronic States ◽  
Nonadiabatic Dynamics ◽  
Electronic Effects ◽  
Spin Tunneling

scholarly journals Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics

2021 ◽  
Vol 154 (11) ◽  
pp. 110901
Author(s):  
Xuezhi Bian ◽  
Yanze Wu ◽  
Hung-Hsuan Teh ◽  
Zeyu Zhou ◽  
Hsing-Ta Chen ◽  
...  
Keyword(s):  
Electronic States ◽  
Intersystem Crossing ◽  
Chemical Physics ◽  
Nonadiabatic Dynamics

The Thermal Emission of Iodine

1974 ◽  
Vol 52 (19) ◽  
pp. 1862-1871
Author(s):  
J. David Brown ◽  
George Burns
Keyword(s):  
Experimental Data ◽  
Shock Wave ◽  
Temperature Dependence ◽  
Electronic State ◽  
Reasonable Agreement ◽  
Thermal Emission ◽  
Electronic States ◽  
Excited Electronic States ◽  
Calculated Temperature ◽  
Calculated Temperature Dependence

The temperature dependence of emission from iodine, heated in a shock wave to 1000 K–2000 K, has been measured at 4550, 5550, 6950, 7550, and 7820 Å. Preliminary measurements of the emission at 6380 Å were also made. The temperature dependence of the emission was calculated at these wavelengths for transitions to the ground electronic state X(1Σg+) of iodine from the excited electronic states, A(3Π1u), (1Π1u), and [Formula: see text]. The calculated results are in a reasonable agreement with experimental data. For the banded emission due to the B → X transition, a theory of the temperature dependence of emission was developed. At 6950, 7550, and 7820 Å, the results of this theory agree with the experimental data thus identifying the B → X transition as the source of emission at these wavelengths. The temperature dependence of emission at 4550 Å is consistent with calculated temperature dependence for either (1Π1u) → X or [Formula: see text] transitions. The temperature dependence of the emission at 5550 Å is consistent with calculated temperature dependence for the above two transitions, as well as for the A(3Π1u) → X transition.

scholarly journals Exchange Interaction in Complex Bis[(1,3-Dithiole-2-Thione-4,5-Dithiolato)-di-(Carbonyl)-Cyclopentadienyl Iron(II)]

2009 ◽  
Vol 2009 ◽  
pp. 1-4
Author(s):  
S. V. Vitushkina ◽  
D. V. Ziolkovskiy ◽  
V. A. Starodub ◽  
I. A. Presniakov ◽  
A. V. Sobolev ◽  
...  
Keyword(s):  
Magnetic Susceptibility ◽  
Triplet State ◽  
Temperature Dependence ◽  
Exchange Interaction ◽  
Spin Density ◽  
Wide Temperature Range ◽  
Electronic States ◽  
Dft Method ◽  
Triplet States ◽  
Singlet And Triplet States

The splitting of the quasidegenerate electronic states in dinuclear bis[(1,3-dithiole-2-thione-4,5-dithiolato)-di-(carbonyl)-cyclopentadienyliron (II)] complex with the bridging, S–S coupled, dimerized sulfur-rich dithiolate ligands, [Fe(C5H5)(CO)2(C3S5-C3S5)Fe(C5H5)(CO)2] (I) was found by the means of Mössbauer spectroscopy and by the measurement of the temperature dependence of magnetic susceptibility in a wide temperature range from 2 K to 300 K. The experimental results were confirmed by the calculations of the singlet and triplet states of the complex, as well as of the distribution of spin density within the bounds of the DFT method in the B3LYP/6-31(dp)G basis. In the more stable triplet state, the spin density is significantly delocalized, which is a characteristic of olefindithiolate complexes.

THE TEMPERATURE DEPENDENCE OF THE ENERGY LEVELS OF SHALLOW DONOR IMPURITIES IN SILICON

1967 ◽  
Vol 45 (4) ◽  
pp. 1421-1438 ◽  
Author(s):  
C. Y. Cheung ◽  
Robert Barrie
Keyword(s):  
Temperature Dependence ◽  
Energy Levels ◽  
Electronic States ◽  
Shallow Donor ◽  
Phonon Interaction ◽  
Electron Phonon Interaction ◽  
Doped Silicon ◽  
Phosphorus Doped

A calculation is made of the temperature dependence of the energy levels of shallow donor impurities in silicon. This temperature dependence arises from the electron–phonon interaction and we consider mixing only of the {1s}, {2s), and {2p0} electronic states. A comparison is made with experiment for the case of phosphorus-doped silicon.

scholarly journals Growth temperature dependence of nitrogen doped graphene structure on Pt (111) and analysis of its reactivity with oxygen

RSC Advances ◽  
2018 ◽  
Vol 8 (60) ◽  
pp. 34309-34313
Author(s):  
Seiji Obata ◽  
Koichiro Saiki
Keyword(s):  
Temperature Dependence ◽  
Growth Temperature ◽  
Nitrogen Doping ◽  
Electronic States ◽  
Nitrogen Doped ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Growth Temperature Dependence ◽  
Pyridinic Nitrogen

Nitrogen doping is an effective method for modulating the electronic states and properties of graphene. Pyridinic nitrogen enhances the reactivity with oxygen.

Temperature dependence of electronic states in thet-Jmodel

1996 ◽  
Vol 54 (20) ◽  
pp. 14445-14454 ◽  
Author(s):  
Hideki Matsumoto ◽  
Taiichiro Saikawa ◽  
Ferdinando Mancini
Keyword(s):  
Temperature Dependence ◽  
Electronic States

Temperature dependence of the electronic states of Kondo semiconductor YbB12

2004 ◽  
Vol 351 (3-4) ◽  
pp. 286-288 ◽  
Author(s):  
Y. Takeda ◽  
M. Arita ◽  
M. Higashiguchi ◽  
K. Shimada ◽  
M. Sawada ◽  
...  
Keyword(s):  
Temperature Dependence ◽  
Electronic States ◽  
Kondo Semiconductor

Temperature Dependence of the Spin Tunneling Magnetoresistive Effect on NiFe/Co/Al2O3/Co/NiFe/FeMn Junctions

1997 ◽  
Vol 36 (Part 2, No. 11B) ◽  
pp. L1498-L1500 ◽  
Author(s):  
Seiji Kumagai ◽  
Nobuki Tezuka ◽  
Terunobu Miyazaki
Keyword(s):  
Temperature Dependence ◽  
Spin Tunneling ◽  
Magnetoresistive Effect
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