Chemical Thermodynamics (Kirkwood, J. G.; Oppenheim, I.)

Equilibrium Molecular Thermodynamics from Kirkwood Sampling

We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the p...

Thermodynamics of Chemical Processes

Chemical Energetics and Thermodynamics

Chemical Thermodynamics of Uranium

(i,j) - r^g Closed Sets in Bitopological Spaces

The aim of this paper is to introduce a new class of sets called (i,j) r^g closed sets and a new class of maps called D^(i,j) continuous maps and D^(i,j)irresolute maps in bitopological spaces. Also we introduce some new spaces called (i,j) – T^1/2 , (i,j) ^T 1/2 ,*T^1/2, ^T*1/2 and ^Trg and obtain their basic properties. Mathematics Subject Classification: 54A10