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](/sites/default/files/2021-07/excerpt-heats-mateo1.png)
![rm1 mateo heats](/sites/default/files/2021-07/excerpt-heats-mateo2.png)
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](/sites/default/files/2021-07/excerpt-heats-flavonoids.png)
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](/sites/default/files/2021-07/excerpt-heats-comparison.png)
...
![rm1 heats formation comparison](/sites/default/files/2021-07/excerpt-heats-comparison2.png)
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 heats formation cyclic molecules](/sites/default/files/2021-07/excerpt-heats-cyclic.png)
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](/sites/default/files/2021-07/excerpt-heats-nitromethane.png)
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](/sites/default/files/2021-07/excerpt-heat-formation-ions.png)