Region single

Choose the region (single or multiple molecules) of interest for an ab initio calculation from the total molecular system. HyperChem performs the ab initio calculation for the selected region using the perturbation of an electrostatic potential arising from the net charges on the atoms of the un selected part. (For further details of this electrostatic potential perturbation implemented in HyperChem, please see the second part of this book. Theory and Methods). 

A residence-time distribution analysis of the hydrodynamics within the intestine in man during a regional single-pass perfusion with Loc-I-Gut in-vivo permeability estimation, J. Pharm. Pharmacol. 1997, 49, 682-686. 

Lennernas H, Lee I, Fagerholm U and Amidon GL (1997) A Residence-Time Distribution Analysis of the Hydrodynamics Within the Intestine in Man During a Regional Single-Pass Perfusion With Loc-I-Gut In-Vivo Permeability Estimation. J Pharm Pharmacol 49 pp 682-686. 

Fig. 4-5 Ramachandran plot for alanylalanine, showing the fully allowed regions (double-hatched) and partially allowed regions (single-hatched) of and ip angles (see Fig. 4-4). The coordinates for the parallel and antiparallel /3 structures (/3p and /3a, respectively) and for the left-handed and right-handed a helices (aL and aR, respectively) are indicated.

Regions in the infrared spectrum. The IR spectrum is divided into four regions single bonds to hydrogen, triple bonds, double bonds, and fingerprint. 

High region, doubly bent Intermediate region Low region, singly bent... 

Pressure drop due to frictional effects Pressure gradient in the slug region, single phase pressure gradient of the continuous phase... 

Single phase region Single phase region... 

To elucidate the mechanism of enzymatic degradation in the crystal region, single crystals are considered a good model... 

---