Sentence examples for molecular shape was from inspiring English sources

Molecular shape was considered in that the molecules were standardized as hard convex bodies (HCB) such as ellipsoids or spherocylinders.

The weight-average molar mass of Fr-I was determined to be 3.872 x 105 g/mol and its molecular shape was revealed to be a rigid rod in an aqueous solution.

The thermal behaviour of A revealed that an "H" molecular shape was an imperative factor to achieve the best mesomorphic properties, while the mesomorphism of B was clearly dependent on the number and/or on the symmetric or asymmetric alkyloxyphenyl substitution on the pyrazole ring.

Orientational restraints included in refinement were derived from residual dipolar couplings measured in a liquid crystalline medium containing bacteriophage Pf1, and a restraint on overall molecular shape was imposed from SAXS data (additional SAXS data are presented in Supplementary Figure S3 at http://www.BiochemJ.org/bj/445/bj4450361add.htm).htm

Two methods for rapid characterization of molecular shape are presented.

The modern understanding of molecular shape is more direct (if one discounts the computing that intervenes between observation and representation).

Molecular shape is an important concept in drug design and virtual screening.

Since 3D molecular shape is an important determinant of biological activity, designing accurate 3D molecular representations is still of high interest.

The VSEPR theory supposes that all electron pairs, both bonding pairs and lone pairs, repel each other particularly if they are close and that the molecular shape is such as to minimize these repulsions.

Thus, molecular shape is partially constituted by interaction and is a relational, not intrinsic property (Ramsey, 1997).

In this approach, molecular shape is described with an atom-centered Gaussian function, which allows for a rapid shape superposition, compared to hard sphere volume approaches.