Stanton

J. F. Stanton et al., ACES II, Quantum Theory Project, University of Florida, Gainesville, FL 32611-8435, 2001, integral packages included are VMOL, J. Almlof and P. Taylor VPROPS (P. R. Taylor) A modified version of ABACUS (T. U, Helgaker, H, J. Aa, Jensen, J. Olsen, and P, J0rgensen. 

Stanton, R.V., Heutsough, D.S., Merz, K.M. Jr An Examination of a Density Functional-Molecular Mechanical Coupled Potential. J. Comput. Chem. 16 (1995) 113-128. 

The MEP at the molecular surface has been used for many QSAR and QSPR applications. Quantum mechanically calculated MEPs are more detailed and accurate at the important areas of the surface than those derived from net atomic charges and are therefore usually preferable [Ij. However, any of the techniques based on MEPs calculated from net atomic charges can be used for full quantum mechanical calculations, and vice versa. The best-known descriptors based on the statistics of the MEP at the molecular surface are those introduced by Murray and Politzer [44]. These were originally formulated for DFT calculations using an isodensity surface. They have also been used very extensively with semi-empirical MO techniques and solvent-accessible surfaces [1, 2]. The charged polar surface area (CPSA) descriptors proposed by Stanton and Jurs [45] are also based on charges derived from semi-empirical MO calculations. 

Parameter Rio Arriba Terrell Stanton San Juan Olds Field, Chffside Field,... 

R. E. Berlin and C. C. Stanton, Radioactive Waste Management, John Wiley Sons, Inc., New York, 1989. 

The dimensionless relations are usually indicated in either of two forms, each yielding identical resiilts. The preferred form is that suggested by Colburn ran.s. Am. In.st. Chem. Eng., 29, 174—210 (1933)]. It relates, primarily, three dimensionless groups the Stanton number h/cQ, the Prandtl number c Jk, and the Reynolds number DG/[L. For more accurate correlation of data (at Reynolds number <10,000), two additional dimensionless groups are used ratio of length to diameter L/D and ratio of viscosity at wall (or surface) temperature to viscosity at bulk temperature. Colburn showed that the product of the Stanton number and the two-thirds power of the Prandtl number (and, in addition, power functions of L/D and for Reynolds number <10,000) is approximately equal to half of the Fanning friction fac tor//2. This produc t is called the Colburn j factor. Since the Colburn type of equation relates heat transfer and fluid friction, it has greater utility than other expressions for the heat-transfer coefficient. 

Effects of Temperature on tiQ and tii The Stanton-number relationship for gas-phase mass transfer in packed beds,... 

Sweat, W.C., Stanton, P.L., and Crump, Jr., O.B., in Proceedings, International Symposium on Optical and Optoelectronic Applied Science and Engineering, July 1990, SPIE 1346, in press. 

R Stanton, S Dixon, K Merz Jr. In A Warshel, G Naray-Szabo, eds. Computational Approaches to Biochemical Reactivity. New York Kluwer, 1996. 

The Raman spectrum in Fig. 10 for solid Ceo shows 10 strong Raman lines, the number of Raman-allowed modes expected for the intramolecular modes of the free molecule [6, 94, 92, 93, 95, 96, 97]. As first calculated by Stanton and Newton [98], the normal modes in molecular Ceo above about 1000 cm involve carbon atom displacements that are predominantly tangential... 

The airflow pattern in rooms ventilated by linear attached jets with L/H ratio greater than that for effectively ventilated rooms was studied by Schwenke and Muller. The results of their air velocity measurements ami visualization studies indicate that there are secondary vortexes formed downstream in the room and in the room corners. The number of downstream vortexes and their size depend upon the room length (Fig. 736b). Mas,s transfer between the primary vortex and the secondary vortex depends upon the difference in characteristic air velocities in the corresponding flows (/, and Ui and can be described using the Stanton number, St . ... 

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