Publications

Harmonizing the Metabolic Syndrome

A cluster of risk factors for cardiovascular disease and type 2 diabetes mellitus, which occur together more often than by chance alone, have become known as the metabolic syndr...

Ground State of the Electron Gas by a Stochastic Method

An exact stochastic simulation of the Schroedinger equation for charged bosons and fermions has been used to calculate the correlation energies, to locate the transitions to the...

Organic electroluminescent diodes

A novel electroluminescent device is constructed using organic materials as the emitting elements. The diode has a double-layer structure of organic thin films, prepared by vapo...

Exchange and Power in Social Life.

In his landmark study of exchange and power in social life, Peter M. Blau contributes to an understanding of social structure by analyzing the social processes that govern the r...

Learning the parts of objects by non-negative matrix factorization

Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide

Exchange and Power in Social Life

In his landmark study of exchange and power in social life, Peter M. Blau contributes to an understanding of social structure by analyzing the social processes that govern the r...

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

Ab initio effective core potentials (ECP’s) have been generated to replace the Coulomb, exchange, and core-orthogonality effects of the chemically inert core electron in the tra...

Teleporting an unknown quantum state via dual classical and Einstein-Podolsky-Rosen channels

An unknown quantum state \ensuremath{\Vert}\ensuremath{\varphi}〉 can be disassembled into, then later reconstructed from, purely classical information and purely nonclassical Ei...

Wettability of porous surfaces

A. B. D. Cassie and S. Baxter, Trans. Faraday Soc., 1944, 40, 546 DOI: 10.1039/TF9444000546

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDevelopment and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelMichael ...

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Abstract: We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucle...