Reactividad y Estructura Molecular ; Reactivity and Molecular Structure Group
RESMOL
University of Rostock
Rostock, AlemaniaPublicaciones en colaboración con investigadores/as de University of Rostock (9)
2019
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OpenMolcas: From Source Code to Insight
Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964
2014
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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
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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
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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
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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
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Experimental and computational thermochemical study of 3-hydroxypropanenitrile
Journal of Chemical Thermodynamics, Vol. 39, Núm. 10, pp. 1377-1383
2006
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Thermochemistry of 2,5-thiophenedicarboxylic acid
Journal of Physical Chemistry A, Vol. 110, Núm. 45, pp. 12477-12483
2004
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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
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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