scholarly article | Q13442814 |
P356 | DOI | 10.1080/10934529.2016.1141626 |
P698 | PubMed publication ID | 26979512 |
P2093 | author name string | Sierra Rayne | |
Kaya Forest | |||
P2860 | cites work | Gaussian-4 theory | Q28291861 |
Stereoelectronic Substituent Effects in Saturated Main Group Molecules: Severe Problems of Current Kohn-Sham Density Functional Theory | Q40255541 | ||
Computational methods in organic chemistry. 3. Correction of computed enthalpies for multiple conformations | Q46793128 | ||
Computational methods in organic thermochemistry. 1. Hydrocarbon enthalpies and free energies of formation. | Q51626298 | ||
How to Compute Isomerization Energies of Organic Molecules with Quantum Chemical Methods | Q56020681 | ||
How Accurate Are DFT Treatments of Organic Energies? | Q57742951 | ||
Many Density Functional Theory Approaches Fail To Give Reliable Large Hydrocarbon Isomer Energy Differences | Q57743025 | ||
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities | Q58738760 | ||
Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory | Q58738838 | ||
P433 | issue | 7 | |
P1104 | number of pages | 5 | |
P304 | page(s) | 583-587 | |
P577 | publication date | 2016-03-16 | |
P1433 | published in | Journal of Environmental Science and Health. Part A: Toxic Hazardous Substances and Environmental Engineering | Q15749500 |
P1476 | title | Performance of the major semiempirical, ab initio, and DFT methods for isomerization enthalpies of linear to branched heptanes. | |
P478 | volume | 51 |
Q52567578 | Iodine-catalyzed isomerization of dimethyl muconate. | cites work | P2860 |
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