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- Neeraj Misra, Harshinder Singh, Vladimir Hnizdo
- Entropy
- 2010

In molecular sciences, the estimation of entropies of molecules is important for the understanding of many chemical and biological processes. Motivated by these applications, we consider the problem… (More)

- Vladimir Hnizdo, Eva Darian, Adam Fedorowicz, Eugene Demchuk, Shengqiao Li, Harshinder Singh
- Journal of Computational Chemistry
- 2007

A method for estimating the configurational (i.e., non-kinetic) part of the entropy of internal motion in complex molecules is introduced that does not assume any particular parametric form for the… (More)

- Vladimir Hnizdo, Jun Tan, Benjamin J. Killian, Michael K. Gilson
- Journal of Computational Chemistry
- 2008

Changes in the configurational entropies of molecules make important contributions to the free energies of reaction for processes such as protein-folding, noncovalent association, and conformational… (More)

In a recent paper, Compagno and Persico (CP) [1] revisited the famous analysis of the measurability of the electromagnetic field by Bohr and Rosenfeld (BR) [2]. CP analyze the BR procedure for the… (More)

- Vladimir Hnizdo
- 2003

The Coulomb-gauge vector potential of a uniformly moving point charge is obtained by calculating the gauge function for the transformation between the Lorenz and Coulomb gauges. The expression… (More)

- Vladimir Hnizdo, Michael K. Gilson
- Entropy
- 2010

The differential Shannon entropy of information theory can change under a change of variables (coordinates), but the thermodynamic entropy of a physical system must be invariant under such a change.… (More)

- Vladimir Hnizdo
- 2004

The expression for the Coulomb-gauge vector potential in terms of the ‘instantaneous’ magnetic field derived by Stewart (2003 Eur. J. Phys. 24 519) by employing Jefimenko’s equation for the magnetic… (More)

- Vladimir Hnizdo, Adam Fedorowicz, Harshinder Singh, Eugene Demchuk
- Journal of Computational Chemistry
- 2003

A method of statistical estimation is applied to the problem of one-dimensional internal rotation in a hindering potential of mean force. The hindering potential, which may have a completely general… (More)

The generalized second-order partial derivatives of 1/r, where r is the radial distance in 3D, are obtained using a result of the potential theory of classical analysis. Some… (More)

- Harvendra Singh, J. Harner, Vladimir Hnizdo, Eugene Demchuk
- 2001

Evaluation of entropy is important in biological processes in order to predict the stability of a molecular conformation. The entropy evaluation requires probabilistic modeling of conformations in… (More)