Theoretical Study of Very High Spin Organic π-Conjugated Polyradicals†

2007 ◽  
Vol 111 (38) ◽  
pp. 9471-9478 ◽  
Author(s):  
Haibo Ma ◽  
Chungen Liu ◽  
Congjie Zhang ◽  
Yuansheng Jiang
Keyword(s):  
High Spin ◽  
Theoretical Study ◽  
Very High

Theoretical study on the reduction reactions from solid char(N): The effect of the nearby group and the high-spin state

Energy ◽  
2019 ◽  
Vol 189 ◽  
pp. 116286 ◽  
Author(s):  
Hai Zhang ◽  
Lei Luo ◽  
Jiaxun Liu ◽  
Anyao Jiao ◽  
Jianguo Liu ◽  
...  
Keyword(s):  
High Spin ◽  
Spin State ◽  
Theoretical Study ◽  
High Spin State ◽  
Reduction Reactions

Mössbauer, Electron Paramagnetic Resonance, and Theoretical Study of a High-Spin, Four-Coordinate Fe(II) Diketiminate Complex

2008 ◽  
Vol 47 (19) ◽  
pp. 8687-8695 ◽  
Author(s):  
Sebastian A. Stoian ◽  
Jeremy M. Smith ◽  
Patrick L. Holland ◽  
Eckard Münck ◽  
Emile L. Bominaar
Keyword(s):  
Electron Paramagnetic Resonance ◽  
High Spin ◽  
Theoretical Study ◽  
Paramagnetic Resonance ◽  
Electron Paramagnetic

scholarly journals Electronic and Molecular Structure of High-Spin d4Complexes:  Experimental and Theoretical Study of the [Cr(D2O)6]2+Cation in Tutton's Salts [J. Am. Chem. Soc.2004,126, 16639−16652].

2005 ◽  
Vol 127 (10) ◽  
pp. 3642-3642 ◽  
Author(s):  
Christopher Dobe ◽  
Christopher Noble ◽  
Graham Carver ◽  
Philip L. W. Tregenna-Piggott ◽  
Garry J. McIntyre ◽  
...  
Keyword(s):  
Molecular Structure ◽  
High Spin ◽  
Theoretical Study ◽  
Tutton’S Salts

Effect of change in P50 on exercise tolerance at high altitude: a theoretical study

1982 ◽  
Vol 53 (6) ◽  
pp. 1487-1495 ◽  
Author(s):  
H. Z. Bencowitz ◽  
P. D. Wagner ◽  
J. B. West
Keyword(s):  
Gas Exchange ◽  
Exercise Tolerance ◽  
Theoretical Study ◽  
Dissociation Curve ◽  
Diffusion Limitation ◽  
Rightward Shift ◽  
Arterial Po2 ◽  
O2 Dissociation Curve ◽  
Very High ◽  
Alveolar Capillary

Acclimatization to altitude often results in a rightward shift of the O2 dissociation curve (ODC). However, a left-shifted ODC is reported to increase exercise tolerance in humans at medium altitude and increase survival in rats breathing hypoxic gas mixtures. We examined this paradox using a computer model of pulmonary gas exchange. A Bohr integration procedure allowed for alveolar-capillary diffusion. When diffusion equilibration was complete, mixed venous (PVO2) and arterial PO2 fell as O2 consumption (VO2) was increased, but PVO2 approached a plateau. Under these conditions a right-shifted ODC is advantageous (higher PVO2) at all but very high altitudes. However, diffusion limitation of O2 transfer may occur at any altitude if VO2 is increased sufficiently. If this occurs, a left-shifted ODC results in higher calculated VO2max (compared with the standard ODC). Further, diffusion limitation always occurs at a lower VO2 with a right-shifted ODC than with a left-shifted ODC. We conclude that whether a leftward or rightward shift in the ODC is advantageous to gas exchange at altitude depends on the presence or absence of diffusion limitation.

Very high spin states in spherical and transuranic nuclei

1978 ◽  
Vol 4 (5) ◽  
pp. 743-753 ◽  
Author(s):  
M Ploszajczak ◽  
H Toki ◽  
A Faessler
Keyword(s):  
High Spin ◽  
Spin States ◽  
High Spin States ◽  
Very High

Nilsson-Strutinsky model of very high spin states

1980 ◽  
Vol 347 (1-2) ◽  
pp. 287-315 ◽  
Author(s):  
I. Ragnarsson ◽  
T. Bengtsson ◽  
G. Leander ◽  
S. Åberg
Keyword(s):  
High Spin ◽  
Spin States ◽  
High Spin States ◽  
Very High

The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study

2017 ◽  
Vol 19 (36) ◽  
pp. 24840-24854 ◽  
Author(s):  
S. Carlotto ◽  
L. Floreano ◽  
A. Cossaro ◽  
M. Dominguez ◽  
M. Rancan ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Structural Properties ◽  
High Spin ◽  
Spectroscopic Data ◽  
Theoretical Study ◽  
Combined Use ◽  
Electronic And Structural Properties ◽  
Bonding Scheme

The combined use of NEXAFS spectroscopic data and DFT results on TM(acac)3(TM = Cr, Mn, Fe) allowed us to look into the TM–ligand bonding scheme and to rationalize the peculiar electronic and structural properties of the title complexes.

Spin ∼60 ℏ in 156Dy: competition between collective and terminating structures at very high-spin

1998 ◽  
Vol 437 (1-2) ◽  
pp. 35-43 ◽  
Author(s):  
F.G. Kondev ◽  
M.A. Riley ◽  
R.V.F. Janssens ◽  
J. Simpson ◽  
A.V. Afanasjev ◽  
...  
Keyword(s):  
High Spin ◽  
Very High
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