Methodology for hydrologic evaluation of a potential surface mine: Loblolly Branch basin, Tuscaloosa County, Alabama

1982 ◽  
Keyword(s):  
Potential Surface ◽  
Surface Mine ◽  
Hydrologic Evaluation

First-Year Survival of Native Wetland Plants in Created Vernal Pools on an Appalachian Surface Mine

2020 ◽  
Vol 38 (2) ◽  
pp. 70-73
Author(s):  
Anna M. Branduzzi ◽  
Christopher D. Barton ◽  
Amy Lovell
Keyword(s):  
Vernal Pools ◽  
Wetland Plants ◽  
First Year ◽  
Surface Mine

An alternative model of the vibronic coupling in octahedral complexes

1988 ◽  
Vol 53 (6) ◽  
pp. 1134-1140
Author(s):  
Martin Breza ◽  
Peter Pelikán
Keyword(s):  
Linear Regression ◽  
Alternative Model ◽  
Potential Surface ◽  
Analytical Formula ◽  
Coupling Model ◽  
Regression Method ◽  
Vibronic Coupling ◽  
Linear Regression Method ◽  
Active Systems ◽  
Jahn Teller

It is suggested that for some transition metal hexahalo complexes, the Eg-(a1g + eg) vibronic coupling model is better suited than the classical T2g-(a1g + eg) model. For the former, alternative model, the potential constants in the analytical formula are evaluated from the numerical map of the adiabatic potential surface by using the linear regression method. The numerical values for 29 hexahalo complexes of the 1st row transition metals are obtained by the CNDO/2 method. Some interesting trends of parameters of such Jahn-Teller-active systems are disclosed.

The empirical conformational surface of the co(ethylenediamine) ring

1990 ◽  
Vol 55 (6) ◽  
pp. 1427-1434 ◽  
Author(s):  
František Pavelčík ◽  
Eva Luptáková
Keyword(s):  
Potential Surface ◽  
Chelate Ring ◽  
Statistical Treatment ◽  
Mirror Image ◽  
Fold Axis ◽  
Empirical Potential ◽  
Reduction Of Dimensionality ◽  
Envelope Conformation ◽  
Structural Correlation ◽  
Structural Database

The conformational surface of the Co(en) chelate ring was studied by the method of structural correlation. The reduction of dimensionality of the conformation problem was achieved by employing the pseudorotation concept. The empirical potential surface was obtained by statistical treatment of 743 independent conformations from the Cambridge Structural Database. The theoretical potential surface was obtained by molecular mechanics. The minimal-energy conformation is gauche with the Co atom on the two-fold axis. Conformational flexibility also includes an envelope conformation with the N atom bent out of the plane. The transition between the mirror-image symmetrical conformations can occur by a pseudorotation pathway and is accompanied by increased planarity of the ring. The transition state is an envelope conformation with an out-plane Co atom.

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