CNDO/2 study of interaction of 1-methyl-1,4-dihydronicotinamide and acetaldehyde

1981 ◽  
Vol 46 (3) ◽  
pp. 740-747 ◽  
Author(s):  
Jiří Krechl ◽  
Josef Kuthan
Keyword(s):  
Electron Distributions ◽  
Stabilization Energies ◽  
Energy Relations ◽  
Favourable Situation

The CNDO/2 method has been used for evaluation of energy relations between some configurations of 1-methyl-1,4-dihydronicotinamide (I) - acetaldehyde (II) supermolecule. Stabilization energies have been estimated for formation of the configuration type A,B and C, the energetically most favourable situation corresponding to the formulas IIIa and IIIb. Characters of some MO's and CNDO/2 and INDO electron distributions are discussed with respect to biochemical aspects of the interaction of NADH and acetaldehyde.

Effect of Nanobionics in crop production- A Review

2020 ◽  
Vol 10 ◽  
Author(s):  
Vinayak Fasake ◽  
Nita Patil ◽  
Zoya Javed ◽  
Mansi Mishra ◽  
Gyan Tripathi ◽  
...  
Keyword(s):  
Crop Production ◽  
Seed Quality ◽  
Negative Impact ◽  
Potential Solution ◽  
New Era ◽  
Mineral Toxicity ◽  
The Impact ◽  
Favourable Situation ◽  
Unique Chemical ◽  
Macro Nutrients

: Nanobionics involves the improvement of plant or plant productivity using nanomaterials. Growth of a plant from a seed encompasses various factors which are directly or indirectly dependent upon the imbibition of micro and macro nutrients and vital elements from the soil. Since most of the nutrition is physiologically unavailable to the plants, it leads to mineral deficiencies in plant and mineral toxicity in soil. Either ways, it is not a favourable situation for the microcosom. The new era of nanotechnology offers a potential solution to the availability of the nutrients to the plants due to its unique chemical and physical properties of nanoparticles. Positive and negative impact of these nanoparticles on seed quality and plant growth varies according to the specific properties of nanoparticles. The present review is an attempt to summarize the impact of nanobionics in agriculture.

scholarly journals Spacecraft Observations and Analytic Theory of Crescent-Shaped Electron Distributions in Asymmetric Magnetic Reconnection

2016 ◽  
Vol 117 (18) ◽  
Author(s):  
J. Egedal ◽  
A. Le ◽  
W. Daughton ◽  
B. Wetherton ◽  
P. A. Cassak ◽  
...  
Keyword(s):  
Magnetic Reconnection ◽  
Analytic Theory ◽  
Electron Distributions

The transmission of polar effects. Part VII. A proton magnetic resonance spectra study of substituted mesitylenes, durenes, anthracenes, and triptycenes

1968 ◽  
Vol 46 (24) ◽  
pp. 3903-3908 ◽  
Author(s):  
Keith Bowden ◽  
J. G. Irving ◽  
M. J. Price
Keyword(s):  
Dielectric Constant ◽  
Free Energy ◽  
Carbon Tetrachloride ◽  
Field Effect ◽  
Proton Magnetic Resonance ◽  
Chemical Shifts ◽  
Linear Free Energy ◽  
Solvent Dependence ◽  
Similar Dependence ◽  
Energy Relations

The chemical shifts of the ring protons in a series of monosubstituted mesitylenes and durenes, and of the 10-protons of a series of 9-substituted triptycenes and anthracenes have been measured in dimethyl sulfoxide, acetone, 2-methoxyethanol, and carbon tetrachloride. The solvent dependence of the substituent chemical shifts has been analyzed by linear free energy relations. The systems all show similar dependence which increases with increasing dielectric constant of the solvent. This does not result from the field effect being transmitted through the medium, but appears to arise from the formation of a hydrogen-bonded interaction between the solvent and the hydrogen of the solute. The substituent chemical shifts appear to arise from contributions from substituent field, resonance, magnetic anisotropy, and solvent effects.

On basis set superposition error corrected stabilization energies for large n-body clusters

2011 ◽  
Vol 135 (13) ◽  
pp. 134118 ◽  
Author(s):  
Katarzyna Walczak ◽  
Joachim Friedrich ◽  
Michael Dolg
Keyword(s):  
Basis Set ◽  
Basis Set Superposition Error ◽  
Large N ◽  
Stabilization Energies

Stability of electron distributions within the Earth's bow shock

1983 ◽  
Vol 88 (A4) ◽  
pp. 3035 ◽  
Author(s):  
M. F. Thomsen ◽  
H. C. Barr ◽  
S. Peter Gary ◽  
W. C. Feldman ◽  
T. E. Cole
Keyword(s):  
Bow Shock ◽  
Electron Distributions ◽  
Earth’S Bow Shock
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