Palladium (II) coordination complexes catalyze the reaction of alcohols with ketones to yield ethers. During the catalytic cycle, the alcohol adds selectively to the β-carbon (anti-Markovnikov). In this work, mechanism and kinetics for the reaction of methanol with methyl vinyl ketone (MVK), being catalyzed by Pd, has been theoretically investigated in detail. Using quantum mechanical approach,...

In this work we consider implementation and testing of an algorithm for continuation of invariant subspaces.

Suppose we translate two different source languages, L1 and L2, into the same intermediate language; can they safely interoperate in the same address space and under the same runtime system? If L1 supports first-class continuations (call/cc) and L2 does not, can L2 programs call arbitrary L1 functions? Would the fact of possibly calling L1 impose restrictions on the implementation strategy of L...

Until now, the area of symbolic computation has mainly focused on the manipulation of algebraic expressions. It would be interesting to apply a similar spirit of “exact computations” to the field of mathematical analysis. One important step for such a project is the ability to compute with computable complex numbers and computable analytic functions. Such computations include effective analytic...

We analyze and extend an explicit pseudo-transient continuation algorithm proposed by Han and Han. We present a convergence proof, extend the method to bound-constrained optimization, and proposed an improved step-size control strategy. 1. Introduction. The purpose of this paper is to analyze and extend an explicit version of pseudo-transient continuation (ΨTC) which has been proposed in [6] fo...

This paper presents a continuation semantics satisfying the basic laws of concurrent systems. This semantics is illustrated for a simple CSP-like language extended with communication on multiple channels and synchronization based on join patterns, which also provides operators for nondeterministic choice, sequential and parallel composition. For the language under investigation we present a den...

Any multiprocessing facility must include three features: elementary exclusion, data protection, and process saving. While elementary exclusion must rest on some hardware facility (e.g., a test-and-set instruction), the other two requirements are fulllled by features already present in applicative languages. Data protection may be obtained through the use of procedures (closures or funargs), an...

Under the assumption of no-arbitrage, the pricing of American and Bermudan options can be casted into optimal stopping problems. We propose a new adaptive simulation based algorithm for the numerical solution of optimal stopping problems in discrete time. Our approach is to recursively compute the so-called continuation values. They are defined as regression functions of the cash flow, which wo...

I study the optimal choice of investment projects in a continuous-time moral hazard model with multitasking. While in the first best, projects are invariably chosen by the net present value (NPV) criterion, moral hazard introduces a cutoff for project selection which depends on both a project’s NPV as well as its risk-return ratio. The cutoff shifts dynamically depending on the past history of ...