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Pure Appl. Chem., 2007, Vol. 79, No. 8, pp. 1345-1359

Computational quantum mechanics: An underutilized tool in thermodynamics

Stanley I. Sandler1 and Marcelo Castier2

1 Department of Chemical Engineering, University of Delaware, Newark, DE 19716, USA
2 Escola de Química, Universidade Federale do Rio de Janeiro, Rio de Janeiro, Brazil

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