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The partition functions of methanol

Journal of Molecular Spectroscopy, 1990
Presentation d'une methode pour le calcul de fonctions de partition du methanol, basee sur une formulation extremement simplifiee et neanmoins ...
M. Dang Nhu   +2 more
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Empirical Protein Partition Functions

The Journal of Physical Chemistry B, 2012
In the present paper, we outline how to construct the partition function for a protein using empirical heat capacity data. The procedure is based on the calculation of a set of energy moments from the temperature dependence of the heat capacity. Given a set of energy moments, one can then use the maximum-entropy method to calculate an approximate ...
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Computing partition functions

Nuclear Physics B - Proceedings Supplements, 1988
Abstract We discuss applications of method we have invented recently to determine the complete partition function of finite volume statistical systems to very good accuracy using numerical simulation methods.
Paul Carter, Gyan Bhanut
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Molecular partition functions

2022
This chapter notes how the Boltzmann distribution introduces a quantity known as the molecular partition function, which plays a key role in statistical thermodynamics. It acknowledges how the Boltzmann distribution contains all the information needed to calculate the bulk properties of a system of independent particles.
Peter Atkins   +2 more
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The partition function

2009
Abstract This chapter introduces the partition function, which encodes all the information concerning the states of a system and their thermal occupation. Topics discussed include writing down the partition function, obtaining the functions of state, and combining partition functions.
Stephen J. Blundell   +1 more
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The partition function

2016
This chapter explores the concept of a partition function introduced by the Boltzmann distribution, which is the central mathematical concept of the treatment of statistical thermodynamics. It focuses on how to interpret the partition function and how to calculate it in a number of simple cases.
Peter Atkins   +2 more
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The Partition Functions

2010
The main purpose of this chapter is to discuss the theory of Dahmen–Micchelli describing the difference equations that are satisfied by the quasipolynomials that describe the partition function \(\mathcal{T}_X\) on the big cells. These equations allow also us to develop possible recursive algorithms.
Corrado De Concini, Claudio Procesi
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Atomic Partition Function

2011
In this chapter, the statistical thermodynamic concepts described in the previous chapter will be applied to atomic species and to their plasma mixtures. Emphasis will be given to the translational and internal contributions to partition function, to their derivatives as well as to thermodynamic properties of single species.
Capitelli, M   +2 more
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Molecular partition functions

2013
Contents The significance of the partition function 506 Brief illustration 52.1: A partition function 507 Contributions to the partition function 508 The translational contribution 509 Brief illustration 52.2: The translational partition function 510 The ...
Peter Atkins   +2 more
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Lacunary partition functions

Mathematical Research Letters, 2002
A function \(f(q)\) is lacunary if \(f(q)= \sum_{n\geq 0} a(n)q^n\) and \(a(n)\) is almost always \(0\). It is known by the work of J.-P. Serre, B. Gordon and S. Robins that there are approximately 60 pairs \((r,s)\) for which \[ \prod_{n=1}^\infty (1-q^n)^r(1-q^{2n})^s \] is lacunary.
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