The semiempirical methods of the OMx family (orthogonalization models OM1, OM2, and OM3) are known to describe biochemical systems more accurately than standard semiempirical approaches such as AM1. We investigate the benefits of augmenting these methods with an empirical dispersion term (OMx-D) taken from recent density functional work, without modifying the standard OMx parameters. Significan...

A strategy is suggested for teaching mathematically literate students, with no background in physics, just enough quantum mechanics for them to understand and develop algorithms in quantum computation and quantum information theory. Although the article as a whole addresses teachers of physics, well versed in quantum mechanics, the central pedagogical development is addressed directly to comput...

The list of basic axioms of quantum mechanics as it was formulated by von Neumann includes only the mathematical formalism of the Hilbert space and its statistical interpretation. We point out that such an approach is too general to be considered as the foundation of quantum mechanics. In particular in this approach any finitedimensional Hilbert space describes a quantum system. Though such a t...

In this paper, we will explore some of the basic elements of the mathematical formulation of quantum mechanics. In the first section, I will list the motivations for introducing a probability model that is quite different from that of the classical probability theory, but still shares quite a few significant commonalities. Later in the paper, I will discuss the quantum probability theory in det...

The accuracies of measurements of almost all fundamental physical constants have increased by factors of about 10,coo during the past 60 years. Although some of the improvements are due to greater care, most are due to new techniques based on quatum mechanics. In popular accounts of quantum mechanics, such great emphases is placed on the Heisenberg Uncertainty Principle that it often appears th...

Dasatinib is a tyrosine kinase inhibitor (TKI) that is used to treat chronic myeloid leukemia and in the management of ulcerative colitis (UC) and to provide appropriate results in treatment. Dasatinib is significantly higher and faster than full cytogenetic and large molecular responses as compared to imatinib. In the recent study, using the NMR data, the frequency and thermochemical propertie...

In our previous papers we were interested in making a reconstruction of quantum mechanics according to classical mechanics. In this paper we suspend this program for a while and turn our attention to a theme in the frontier of quantum mechanics itself—that is, the formation of operators. We then investigate all the subtleties involved in forming operators from their classical counterparts. We s...