Enthalpies

 

MATEO: A software package for the molecular design of energetic materials

Authors: Didier Mathieu
Publication year: 2010
Journal / Book title: Journal of Hazardous Materials

Excerpt from the article:

rm1 mateo heats

rm1 mateo heats

 

 

Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids

Authors: Dragan Amić and Bono Lučić
Publication year: 2009
Journal / Book title: Bioorganic & Medicinal Chemistry

Excerpt from the article:

rm1 heats formation flavonoids

 

Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules

Authors: Kurt W. Sattelmeyer, Julian Tirado-Rives, and William L. Jorgensen
Publication year: 2007
Journal / Book title: J. Phys. Chem. A

Excerpt from the article:

rm1 heats comparison

  ...

rm1 heats formation comparison

 

Calculation of Heat of Formation for Tensile Cyclic Molecules in Condensed Phase Using Electrostatic Potential and QSPR Schemes

Authors: Agata Siwek , Monika Wujeca, Joanna Stefańskab, Piotr Panethc
Publication year: 2008
Journal / Book title: Heteroatom Chemistry

Excerpt from the article:

rm1 hets formation cyclic molecules

 

On the heat of formation of nitromethane

Author(s): John A. Bumpus , Patrick H. Willoughby
Publication year: 2008
Journal / Book title: Journal of Physical Organic Chemistry

Excerpt from of the article:

rm heats formation nitromethane

Formation Enthalpies of Ions: Routine Prediction Using Atom Equivalents

Authors: Didier Mathieu and Yohann Pipeau 
Publication year: 2010
Journal / Book title: JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Excerpt from the article:

rm1 heat formation ions