Publications in collaboration with researchers from University of Rostock (9)

2019

  1. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

2014

  1. Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

    Journal of Chemical Thermodynamics, Vol. 73, pp. 97-100

2011

  1. Experimental and computational thermochemical study of barbituric acids: Structure-energy relationship in 1,3-dimethylbarbituric acid

    Journal of Physical Chemistry A, Vol. 115, Núm. 14, pp. 3167-3173

2010

  1. Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid

    Journal of Physical Chemistry A, Vol. 114, Núm. 10, pp. 3583-3590

2008

  1. Structure-energy relationship in barbituric acid: A calorimetric, computational, and crystallographic study

    Journal of Physical Chemistry A, Vol. 112, Núm. 32, pp. 7455-7465

2007

  1. Experimental and computational thermochemical study of 3-hydroxypropanenitrile

    Journal of Chemical Thermodynamics, Vol. 39, Núm. 10, pp. 1377-1383

2006

  1. Thermochemistry of 2,5-thiophenedicarboxylic acid

    Journal of Physical Chemistry A, Vol. 110, Núm. 45, pp. 12477-12483

2004

  1. The energetics of naphthalene derivatives, III: Phenylacetic acid and the isomeric 1- And 2-naphthylacetic acids

    Molecular Physics, Vol. 102, Núm. 18, pp. 1909-1917

2003

  1. The energetics of the isomeric 1- and 2-naphthoic acids: Context, quantum chemical calculations and thermochemical measurements

    Molecular Physics, Vol. 101, Núm. 9, pp. 1311-1318