Mapping potential surface ponding in agriculture using UAV‐SfM

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.

Download Full-text

The empirical conformational surface of the co(ethylenediamine) ring

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19901427 ◽

1990 ◽

Vol 55 (6) ◽

pp. 1427-1434 ◽

Cited By ~ 6

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.

Download Full-text

Jahn-Teller Effect in Hexahydroxocuprate(II) Complexes

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19951429 ◽

1995 ◽

Vol 60 (9) ◽

pp. 1429-1434

Author(s):

Martin Breza

Keyword(s):

Hydrogen Bonding ◽

Quantum Chemical ◽

Potential Surface ◽

Hydroxyl Group ◽

Chemical Calculation ◽

Teller Distortion ◽

Jahn Teller ◽

Jahn Teller Effect ◽

Extremal Values ◽

Jahn Teller Distortion

Using semiempirical CNDO-UHF method the adiabatic potential surface of 2[Cu(OH)6]4- complexes is investigated. The values of vibration and vibronic constants for Eg - (a1g + eg) vibronic interaction attain extremal values for the optimal O-H distance. The Jahn-Teller distortion decreases with increasing O-H distance. The discrepancy between experimentally observed elongated bipyramid of [Cu(OH)6]4- in Ba2[Cu(OH)6] and the compressed one obtained by quantum-chemical calculation is explainable by hydrogen bonding of the axial hydroxyl group.

Download Full-text

Carcass orientation and drip time affect potential surface water carryover for broiler carcasses subjected to a post-chill water dip or spray

Poultry Science ◽

10.3382/ps/pew275 ◽

2017 ◽

Vol 96 (1) ◽

pp. 241-245 ◽

Cited By ~ 3

Author(s):

D.V. Bourassa ◽

K.M. Wilson ◽

L.N. Bartenfeld ◽

C.E. Harris ◽

A.K. Howard ◽

...

Keyword(s):

Surface Water ◽

Potential Surface

Download Full-text

Unveiling the Interaction Potential Surface between Drug-Entrapped Polymeric Micelles Clarifying the High Drug Nanocarrier Efficiency

Nano Letters ◽

10.1021/acs.nanolett.0c03978 ◽

2021 ◽

Vol 21 (3) ◽

pp. 1303-1310

Author(s):

Takeshi Morita ◽

Sayaka Mukaide ◽

Ziqiao Chen ◽

Kenjirou Higashi ◽

Hiroshi Imamura ◽

...

Keyword(s):

Interaction Potential ◽

Potential Surface ◽

Polymeric Micelles ◽

High Drug

Download Full-text

Surface charging parameters of charged particles in symmetrical electrolyte solutions

Physical Chemistry Chemical Physics ◽

10.1039/d0cp02725a ◽

2020 ◽

Vol 22 (35) ◽

pp. 20123-20142

Author(s):

Hadi Saboorian-Jooybari ◽

Zhangxin Chen

Keyword(s):

Charge Density ◽

Surface Charge ◽

Electrolyte Solution ◽

Surface Charge Density ◽

Potential Surface ◽

Research Work ◽

Charged Particles ◽

Electrolyte Solutions ◽

Surface Charging ◽

Curvature Dependence

This research work is directed at development of accurate physics-based formulas for quantification of curvature-dependence of surface potential, surface charge density, and total surface charge for cylindrical and spherical charged particles immersed in a symmetrical electrolyte solution.

Download Full-text