Designing M-bond (X-M···Y, M = transition metal): σ-hole and radial density distribution

Understanding Hydrogen Adsorption in MIL-47-M (M = V and Fe) through Density Functional Theory

The present paper aims to investigate the role of open metal site metal-organic frameworks (MOFs) on hydrogen adsorptivity using periodic boundary condition (PBC) density functional theory (DFT). Hence, MIL-47-M (M = V and Fe) were selected and one hydrogen molecule adsorptivity was calculated in different orientations on them. Four different chemical sites were identified in every cluster sect...

Theoretical Studies of Transition-metal Hydrides. 1. Bond Energies for Mh' with M

We present here consistent ab initio calculations (generalized valence bond plus configuration interaction) on the 11 molecules MH+ with M = Ca through Zn. The ground-state symmetry, bond distance, vibration frequency, and bond energy are reported. The character of the wave function is used to analyze the bond energy and to rationalize the ground-state symmetry and spectroscopic properties. Exc...

(L, M)-Fuzzy σ-Algebras

When I my received my M

This article intends to discuss Information Technology diploma programs as an alternate means of educating systems librarians and preparing them for the new challenges faced by library systems offices. The first section outlines my own experience marrying an MLIS with a Graduate Diploma in Information Technology as a means of moving into systems librarianship. The second discusses the applicati...

M m m Queue with Balking, Reneging and Additional Servers

In this paper, we consider a multi-server queuing system in which additional servers are allowed for a longer queue to reduce the customer’s balking and reneging behavior. The customers are assumed to arrive in Poisson fashion and their service- times follow exponential distribution. The number of servers in long run depends on the queue-length. We obtain equilibrium queue size distribution. Th...