Molecule

3.3. Mulliken Atomic charges analysis Mulliken atomic charge calculation has an important physical property of the quantum chemical calculation of molecular system because of the atomic charge effect, electronic structure and more a lot of properties of molecular systems [19].The possible molecular bonding of a compound depends on the electronic charge existing on the chelating atoms [20]. The charge changes with basis set presumably occur due to polarization. The charge distribution of (C20 is…

reason that water is so unique is because of its molecular structure. Due to the fact that it is a polar covalent molecule it has very little positive and even smaller chances of a negative charge on opposite ends. Also because is called “a bent” which is basically a polar molecule, it contains a real important characteristic of what is built and formed when lots of water molecules. Molecules join or fuse in which all of them are critical to the creation and support of life on earth. One…

used to potentially increase inhibition efficiency. A possible approach to predicting the characteristics of chemical structures is through the use of quantum chemistry. Frontier orbitals are the predominant force that determines reactivity within a molecule and can be chemically composed to meet certain requirements. The best corrosion inhibitors typically have electron-rich functional groups such as nitrogen, oxygen, or aromatic rings that can donate electron density and adsorb readily to the…

characteristics of water and relate them to the structure of water. Water has a high heat capacity Water has a high heat of vaporization Water is a solvent Water molecules are cohesive and adhesive Water has a high surface tension 3. Define an acid and base; describe the pH scale and state the significance of buffers. Acid are molecules tending to…

The structure of a molecule affects how it is able to bond with other molecules and how effective these bonds are. The structure of the molecule itself is held together by the intramolecular forces, which are the internal forces of a molecule, such as the attraction and repulsion of electrons to the protons in the nucleus. The external forces on a molecule, which are called the intermolecular forces, such as electronegativity, help to determine the boiling and melting points of each element.…

There are numerous scientists who have positively impacted the field of Chemistry; from Robert Bunsen to George Washington Carver, chemists have and continue to shape the publics knowledge of Chemistry. However, one chemist stands out from all the rest because of his historical, societal, and person significance: George Claude Pimentel. Pimentel’s life, work, and contribution to Chemistry have shaped this field and impacted it in ways that other scientists have not. Background George Claude…

Cellulose derivatives The cellulose derivatives widely used in mucoadhesive formulations are hydroxyethylcellulose, hydroxylpropylmethylcellulose, hydroxypropylcellulose and carboxymethylcellulose etc. • Hydroxylpropylmethylcellulose (HPMC): Hydroxylpropylmethylcellulose is semi synthetic, inert, viscoelastic polymers, extensively used not only for mucoadhesion properties but also for its controlled release mechanism. It has been applied to deliver various drugs via different type of dosage…

Intermolecular Forces Intermolecular forces are the result of attractive or repulsive forces between atoms, molecules or ions, primarily as a result of electrostatic attractions; these forces act between discrete molecules. Intermolecular forces are weak forces but without them life as we know it would not be possible: water vapor would not condense into its liquid (or solid forms) if its molecules did not attract each other, and all matter, in fact, would exist as gases. The physical states…

Stereochemistry conformation is how molecules are orientated in space. There are two basic types of isomers: constitutional or stereoisomers. Constitutional isomers gave the same molecular formula but different connectivity, while stereoisomers have the same connectivity but a different orientation in space. Stereoisomer has two subunits called enantiomers and diastereomers. Enantiomers are molecules that are mirror images, while diastereomers are not mirror images. Stereochemistry focus…

The molecule butane was observed while its dihedral angle was changed in 60 degree increments from 0 degrees to 360. The dihedral angle that had the largest potential energy was at 0˚ and 360˚. This is because the molecule was in an eclipsed conformation, an orientation of the molecule that causes there to be a lot of potential energy because the two largest molecules are fighting space, making it unstable. The lowest potential energy and most stable conformation was seen at 180˚which is…