## Abstract Hydration free energy (HFE) is generally used for evaluating molecular solubility, which is an important property for pharmaceutical and chemical engineering processes. Accurately predicting HFE is also recognized as one fundamental capability of molecular mechanics force field. Here, w
On circular multipole calculations
β Scribed by V.V. Zashkvara
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 271 KB
- Volume
- 354
- Category
- Article
- ISSN
- 0168-9002
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One def'ming characteristic of a fast multipole calculation is the number of tiers (depth of tree) used to group the particles. For three dimensions, the standard boxing scheme restricts the number of lowest level boxes to be a power of eight. We present a method which through a simple scaling of th
## Abstract The multipole theory (MT) method is exploited as a simple, accurate, and efficient tool for determining the capacitance matrix of circular rods located inside various grounded structures. The solution of the boundaryβvalue problem associated with circular rod arrays is represented by th
A semi-mncroscopic theory of optical circular blrefrinpnce (OCB) in abitrary dense optically active bodies is propod, comprising in 3 concise tensorial formalism the electromagnetic multipolar ~olarizabilities of all orders. Besides spatial dispersion of arbitrary order, frequency dispersion 2nd nbs