A semiclassical reactive flux method for the calculation of condensed phase activated rate constants

A semi classical reactive flux algorithm for calculating thermally activated rate constants is presented which is based on a semi-classical transition state theory due to Chapman, Garrett and Miller [J. Chem. Phys. 63 (1975) 2710]. This reactive flux technique, when combined with the semiclassical TST, enables one to describe dynamical recrossings of the transition state on the same footing as tunneling effects. Most importantly, the method is readily applied to nonlinear multidimensional systems over a wide range of temperatures. It will be shown that the method works very well for a variety of existing models.     

Recent results in high p T physics from CDF

The European Physical Journal C - We present the most recent high p T results from the CDF experiment using $p\overline{p}$ collisions at $\sqrt{s}=1.96~$ TeV produced at the Tevatron Collider at...     

Formation, isolation and characterization of an AB-biaryl atropisomer of oritavancin

Oritavancin is a semi-synthetic glycopeptide antibiotic which is structurally related to vancomycin. When oritavancin bisphosphate is dried in vacuo with heat, a new compound forms. This new compound is stable only in the solid state and reverts to oritavancin in solution. Highly enriched samples of this compound were obtained by preparative HPLC and the structure of this compound was elucidated by using one and two-dimensional (¹H and ¹³C) NMR spectroscopy in conjunction with computer-assisted molecular modeling. It has been determined that oritavancin adopts a conformation similar to that of vancomycin in solution, while the new compound is the unnatural R-AB-biaryl atropisomer of oritavancin. This is the first observation and isolation of an AB-biaryl atropisomer in an intact member of the vancomycin family of glycopeptide antibiotics.     

INCENTIVE COMPATIBLE ENVIRONMENTAL REGULATIONS

This paper addresses the problem of designing environmental regulations when firms possess better information about the cost of pollution abatement than regulators. In the regulatory equilibrium derived in the paper, firms are induced to reveal the information they have concerning abatement costs through the judicious use of abatement standard-subsidy combinations. Offering firms a menu of regulatory contracts, each one specifying a required level of pollution abatement as well as a lump sum subsidy to be paid by the regulatory agency to the firm, is shown to be superior to optimal uniform standard-subsidy schemes. By appealing to the revelation principle and employing a second policy instrument (subsidies), albeit a costly one, in conjunction with an abatement standard, the incentive compatible approach to environmental regulation presented in the paper minimizes the economic inefficiency customarily attributable to a lack of initial information regarding pollution abatement costs.     

Asymptotic formula for a partition function of reversible coagulation-fragmentation processes

We construct a probability model seemingly unrelated to the considered stochastic process of coagulation and fragmentation. By proving for this model the local limit theorem, we establish the asymptotic formula for the partition function of the equilibrium measure for a wide class of parameter functions of the process. This formula proves the conjecture stated in [5] for the above class of processes. The method used goes back to A. Khintchine.     

On the topology of black holes

We establish from local hypotheses some results concerning the final state topology of black holes. We show that the surface of a black hole must have 2-sphere topology and that the topology of space in its vicinity is simple.Dedicated to Ted FrankelThis work has been partially supported by NSF grants DMS-8802877 and DMS-9006678