Workplace Safety - The Prophylactic and Compensatory Rights of the Employee.

Abstract Forthcoming

Fortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models

Despite the tremendous advances made by the ab initio theory of electronic structure of atoms and molecules, its applications are still not possible for very large systems. Therefore, semi-empirical model Hamiltonians based on the zero-differential overlap (ZDO) approach such as the Pariser-Parr-Pople, CNDO, INDO, etc. provide attractive, and computationally tractable, alternatives to the ab initio treatment of large systems. In this paper we describe a Fortran 90 computer program developed by us, that uses CNDO/2 and INDO methods to solve Hartree-Fock(HF) equation for molecular systems. The INDO method can be used for the molecules containing the first-row atoms, while the CNDO/2 method is applicable to those containing both the first-, and the second-row, atoms. We have paid particular attention to computational efficiency while developing the code, and, therefore, it allows us to perform calculations on large molecules such as C_60 on small computers within a matter of seconds. Besides being able to compute the molecular orbitals and total energies, our code is also able to compute properties such as the electric dipole moment, Mulliken population analysis, and linear optical absorption spectrum of the system. We also demonstrate how the program can be used to compute the total energy per unit cell of a polymer. The applications presented in this paper include small organic and inorganic molecules, fullerene C_60, and model polymeric systems, viz., chains containing alternating boron and nitrogen atoms (BN chain), and carbon atoms (C chain).Comment: 29 pages, 3 figures, to appear in Computer Physics Communication

An Analysis of Products Liability Defenses in the Aftermath of Hopkins.

Abstract Forthcoming

Areas of Changing Interpretation: The Positional Risk Doctrine Student Symposium - Workmen\u27s Compensation: A Pandect of the Texas Law.

Abstract Forthcoming

A Reinstatement Order, Although Void, Is Interlocutory and Therefore Not Appealable to the Court of Civil Appeals.

Abstract Forthcoming

THEORETICAL CONSIDERATION OF SYMMETRY-FORBIDDEN ELECTRONIC TRANSITIONS∗TRANSITIONS^{*}

$^{*}$Supported by National Science Foundation Grant GP 6301X.Author Institution: School of Chemistry, Rutgers UniversityA theoretical formalism for describing vibronically-induced, symmetry-forbidden, electronic transitions in polyatomic molecules is examined. The electronic transition moment is calculated from its Maclaurin expansion about the equilibrium configuration of the initial state. The terms in the expansion are calculated directly from semi-empirical wavefunctions. Applications is made to $^{1} U$ ($\pi=^{*}$) $\leftarrow$ $S_{o}$ in formaldehyde and in other carbonyl containing molecules