Application of a Semi-homodesmotic Approach in Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclobutanes: RSEs for c-C4R8 That Make Sense-Reference-Cited by-同舟云学术

Application of a Semi-homodesmotic Approach in Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclobutanes: RSEs for c-C4R8 That Make Sense

Published:2014-07-28 Issue:31 Volume:118 Page:6060-6067
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Gilbert Thomas M.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, Illinois 60115, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp5058995

Reference45 articles.

1. A Semi-homodesmotic Approach for Estimating Ring Strain Energies (RSEs) of Highly Substituted Cyclopropanes That Minimizes Use of Acyclic References and Cancels Steric Interactions: RSEs for c-C3R6 that Make Sense

2. Branched Alkanes Have Contrasting Stabilities

3. Hexafluorocyclopropane and octafluorocyclobutane: a study of the strain energies

4. Density Functional Theory Calculations of the Effect of Fluorine Substitution on the Cyclobutylcarbinyl to 4-Pentenyl Radical Rearrangement

5. The strain energy of perchlorocyclopropane is small: It might even be negative. A density functional theory study of perhalocycloalkanes

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning;Journal of Chemical Theory and Computation;2020-07-17

2. The s ‐homodesmotic method for the computation of conventional strain energies of bicyclic systems and individual rings within these systems;International Journal of Quantum Chemistry;2018-12-05

3. Thermochemistry of gas-phase and surface species via LASSO-assisted subgraph selection;Reaction Chemistry & Engineering;2018

4. Group Additivity for Thermochemical Property Estimation of Lignin Monomers on Pt(111);The Journal of Physical Chemistry C;2016-08-18

5. Estimating Ring Strain Energies of Highly Substituted Cyclohexanes with the Semi-homodesmotic Approach: Why Substantial Ring Strain Exists for Nominally Tetrahedral Ring Carbon Atoms;The Journal of Organic Chemistry;2015-09-29