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Shiv Nadar University

(SoNS) School of Natural Sciences

Chemistry

Fulltext

The Journal of Chemical Physics

Comment on "electron flow and electronegativity equalization in the process of bond formation" [J. Chem. Phys. 99, 5151 (1993)]

The first discussion of the dynamics of Jahn–Teller systems in terms of the electronic density as the fundamental variable was given by W.J. Clinton in 1960, where the degenerate electronic configuration of a Jahn–Teller molecule was interpreted in terms of the infinite number of ways in which the charge distribution can be oriented for the same energy. The moving nuclear framework serves as the perturbation necessary to define the orientation of the charge density, with no activation energy required to put the charge cloud into motion. Recently, this notion of the electronic charge cloud in a Jahn–Teller molecule sweeping out the potential surface over which the nuclei move has found mathematical expression in our work in terms of a generalized electronic current density in nuclear‐coordinate space [N. Sukumar and B.M. Deb, Int. J. Quantum Chem. 40, 501 (1991)]. The introduction of the electronic phase as a function of both electronic and nuclear coordinates, in addition to the electronic density, is a crucial component of this formulation. In the present work, the density‐based treatment is extended to the nonadiabatic situation, with the Born couplings interpreted as nonadiabatic currents in parameter space. Abelian and non‐Abelian gauge transformations of these currents are discussed. © John Wiley & Sons, Inc. Copyright © 1994 John Wiley & Sons, Inc.

International Journal of Quantum Chemistry

Density functional theory for Jahn–Teller systems

We suggest a modified factorization scheme within a supersymmetric framework which affords a consistent treatment of a wide class of Schrödinger potentials. A consequence of this is the possibility of deriving a boson-fermion Hamiltonian with linear interaction. © 1993 Plenum Publishing Corporation.

Physics

World University root node

International Journal of Theoretical Physics

Modified factorization method and supersymmetric quantum mechanics

Physics Letters B

Comment on "from N=2 supersymmetry to quantum deformation"

We present a comprehensive scheme of deformation and apply it to supersymmetric quantum mechanics. We work out the connection with a recently proposed model and explore a new mode of quantum deformation. © 1993.

Physics Letters A

Deformation in supersymmetric quantum mechanics

We consider a pole-model scheme to study isospin violation in the quark and gluon contribution to the proton matrix element of the flavor-singlet axial-vector current. © 1993 The American Physical Society.

Physical Review D

Remarks on quark and gluon contribution to proton spin

Some consequences of the quantum fluid dynamics formulation are discussed for excited states of atoms and molecules and for time-dependent processes. It is shown that the conservation of electronic current density j(r) j). Our numerical results are presented elsewhere and further development is in progress. © 1993, Walter de Gruyter. All rights reserved.

Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

Electron Charge and Current Densities, the Geometrie Phase and Cellular Automata

On the basis of an improved Thomas-Fermi-Dirac (TFD)-type method, a characteristic radius rD is defined for a free atom or ion, where the electron density acquires the universal value of 0.008714. This value is obtained from the ratio of the Dirac exchange constant to the TF kinetic energy constant. Among vertical groups in the Periodic Table, rD calculated from near-Hartree-Fock densities shows striking linear relationships with the empirical covalent radius, the van der Waals radius, the Wigner-Seitz radius, the ionic radius, the first ionization potential, the electronegativity, the softness, the dipole polarizability and the London dispersion coefficient. The potential at rD due to the net charge inside a sphere of radius rd also varies linearly as Mulliken's electronegativity, among vertical groups. On the average, a sphere of radius rd contains more than 95% of the total electronic charge. The horizontal variations in rd among non-transition, transition, and inner transition atoms are sensitive to the changes in electronic configuration, identifying half-filled and completely filled Subshells and also reflecting the lanthanide contraction. © 1992.

Journal of Molecular Structure: THEOCHEM

A universal density criterion for correlating the radii and other properties of atoms and ions

Oxalyl CoA synthetase, a key enzyme in the biosynthesis of β-oxalyl CoA synthetase, a key enzyme in the biosynthesis of days old seedlings of Lathyrus sativus using affinity chromatography and electroelution. The enzyme existed in three forms. They were designated as OCS-1, OCS-2 and OCS-3 and their molecular weights were found to be 63.1, 39.9 and 17.7 kDa, respectively. The antibodies were raised against all the three enzymes. The monospecificity of the antiserum was checked by immunoblotting. OCS-1 and OCS-2 did not share any common epltopes as no cross-reaction was seen. © 1992 Springer-Verlag.

Life Sciences

Journal of Plant Biochemistry and Biotechnology

Purification of Oxalyl CoA Synthetase Enzyme from Lathyrus sativus and Raising of Antibodies

The violation of the Delta I=1/2 rule and the effects of the isospin violation in Delta S=1 weak transitions are analysed for the K to 2 pi , K to 3 pi , angle , Xi and Sigma hyperon decays.