Bala Ramachandran

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In spite of many advances in business process simulation technologies, their adoption by the business analyst community has been primarily limited to specialists. We propose a Business Process Transformation Wizard as a capability to bridge this gap. This enables analysts to explore different business process transformation options using Business Process(More)
Modeling and simulation of business processes is a powerful capability for analysis of business solutions in a service-oriented architecture (SOA). In this paper, we describe analysis techniques that are applicable during the design-time and runtime development of business solutions to estimate business process performance. During the design phase, our(More)
In spite of many advances in business process modeling and simulation technologies, their adoption by the business analyst community has been primarily limited to specialists. We propose a business process transformation wizard as a tool to bridge this gap. This enables users to easily analyze their performance using quantitative technologies by using a(More)
We report the thermal rate constant of the O(3 P) + HCl AE OH + Cl reaction calculated from 200 to 3200 K, using new fits to extensive ab initio calculations [B. Ramachandran and K. A. Peterson, J. Chem. Phys. preceding paper]. The rate constants are obtained for both the 3 A " and 3 A' surfaces using exact quantum reactive scattering calculations for(More)
This study explores the degree to which GGA, meta-GGA, hybrid GGA, and hybrid meta-GGA functionals of density functional theory (DFT), when used with the 6-31+G(d) basis set, are able to reproduce the MP2/6-31+G(d) structures and energetics of the species involved in the reactions of halomethyllithium carbenoids with ethylene. While many popular DFT(More)
The influence of temperature and solvent effects on the reduction and amination mechanisms of iodomethane by lithium N,N-diisopropylaminoborohydride (iPr-LAB) was examined in varying concentrations of THF and dioxane. The reactions of benzyl chloride and trimethylsilyl chloride with iPr-LAB in THF were also studied. The amination of iodomethane is favored(More)
The scaling of dynamical correlation energy in molecules obtained by the correlation functionals of density functional theory (DFT) is examined. The approach taken is very similar to the scaled external correlation method of Brown and Truhlar but is based on the observation that DFT correlation functionals, especially the LYP, appear to represent the(More)