A second-order extension of the Kohn-Sham total energy in density-functional theory (DFT) with respect to charge density fluctuations serves as the foundation for the density functional based tight binding (DFTB) approach.
What is DFTB method?
- The density functional based tight binding (DFTB) electronic structure method was used to study the clusters of bare TiO2 and TiO2 with linked organic ligands modeling polyorganic composites used as photocatalytic materials.
- The results were compared to those obtained from B3LYP/6-31G(d,p) calculations, semiempirical methods PM6 and PM7, and available experimental data.
- It was discovered that the highly scalable DFTB approach produces outcomes that are nearly on the level of theory B3LYP/6-31G(d,p).
- The trans3d set more accurately reproduces the energies of the composite material production in polycondensation processes, but the corrected version of the tiorg DFTB parameter set (tiorg-smooth) performs better for structural parameter estimations.
- The tiorg-smooth and trans3d settings perform better than the matsci set in some way. Studies of adsorption complexes of bare TiO2 clusters can be conducted using the tiorg-smooth and matsci sets.
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0.33L more water is needed to dissolve it.
Cocaine is a stimulant substance obtained from the leaves of two Coca species native to South America, Erythroxylum coca and Erythroxylum novogranatense.
<h3>What is a coca?</h3>
Coca is a plant. The leaves of the coca plant are the source of cocaine, which is an illegal that is used nasally, injected, or smoked for mind-altering effects. Cocaine is also an FDA-approved Schedule II . This means cocaine can be prescribed by a healthcare provider, but the process is strictly regulated.
<h3>What happens when you smoke coca leaves?</h3>
The smoking of coca paste causes four distinct successive phases of mental disorder: euphoria, dysphoria, hallucinosis and paranoid psychosis. It can produce severe intoxication, prolonged or relapsing psychosis and, in some cases, end of life.
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Answer:
a. The new pressure is 606,25 Torr.
b. -243,9°C is needed to reach the pressure of 7250 Torr.
Explanation:
Gay Lussac's law for gases says that if the volume in a gas remains constant, the pressure will be directly proportional to the temperature change.
P1 . T1 = P2. T2
(Temperature must be in K)
725 Torr . 291 K = P2 . 348 K
(725 Torr . 291 K) /348 K = P2
606,25 Torr = P2
725 Torr . 291K = 7250 Torr . T2
(725 Torr . 291K) /7250 Torr = T2
29,1 K = T2
T° K - 273 = T°C
29,1 K -273 = -243,9°C
Expect to find in the pellet of a seagull bones and fur and feathers the seagull has eaten. The relatively small amount of indigestible bone and fur that remain will be compacted by their stomach muscles into a pellet similar to the owl’s.
