Open Access
A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules †
1
Department of Chemistry and Biochemistry, Swarthmore College, Swarthmore, PA 19081, USA
|
Publication type: Journal Article
Publication date: 2020-04-30
General Medicine
Abstract
A method is presented for the direct computation of hydrocarbon strain energies using computational group equivalents. Parameters are provided at several high levels of electronic structure theory: W1BD, G-4, CBS-APNO, CBS-QB3, and M062X/6-31+G(2df,p). As an illustration of the procedure, strain energies are computed for 66 hydrocarbons, most of them highly strained.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
2
3
|
|
|
Journal of Physical Chemistry A
3 publications, 9.68%
|
|
|
Journal of Organometallic Chemistry
2 publications, 6.45%
|
|
|
Journal of the American Chemical Society
2 publications, 6.45%
|
|
|
Journal of Organic Chemistry
2 publications, 6.45%
|
|
|
Crystal Growth and Design
1 publication, 3.23%
|
|
|
Macromolecular Chemistry and Physics
1 publication, 3.23%
|
|
|
Journal of Polymer Science
1 publication, 3.23%
|
|
|
Photochemistry and Photobiology
1 publication, 3.23%
|
|
|
ACS Macro Letters
1 publication, 3.23%
|
|
|
Molecular Systems Design and Engineering
1 publication, 3.23%
|
|
|
Thermo
1 publication, 3.23%
|
|
|
Angewandte Chemie - International Edition
1 publication, 3.23%
|
|
|
Angewandte Chemie
1 publication, 3.23%
|
|
|
Energy Advances
1 publication, 3.23%
|
|
|
Applied Sciences (Switzerland)
1 publication, 3.23%
|
|
|
ChemPhotoChem
1 publication, 3.23%
|
|
|
Mendeleev Communications
1 publication, 3.23%
|
|
|
Materials Today Chemistry
1 publication, 3.23%
|
|
|
Nature Chemistry
1 publication, 3.23%
|
|
|
AppliedChem
1 publication, 3.23%
|
|
|
Tetrahedron Letters
1 publication, 3.23%
|
|
|
Chemical Science
1 publication, 3.23%
|
|
|
Energy & Fuels
1 publication, 3.23%
|
|
|
Energies
1 publication, 3.23%
|
|
|
1
2
3
|
Publishers
|
2
4
6
8
10
|
|
|
American Chemical Society (ACS)
10 publications, 32.26%
|
|
|
Wiley
6 publications, 19.35%
|
|
|
MDPI
5 publications, 16.13%
|
|
|
Elsevier
4 publications, 12.9%
|
|
|
Royal Society of Chemistry (RSC)
3 publications, 9.68%
|
|
|
OOO Zhurnal "Mendeleevskie Soobshcheniya"
1 publication, 3.23%
|
|
|
Springer Nature
1 publication, 3.23%
|
|
|
2
4
6
8
10
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
31
Total citations:
31
Citations from 2025:
3
(9.68%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Rablen P. R. A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules † // Chemistry. 2020. Vol. 2. No. 2. pp. 347-360.
GOST all authors (up to 50)
Copy
Rablen P. R. A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules † // Chemistry. 2020. Vol. 2. No. 2. pp. 347-360.
Cite this
RIS
Copy
TY - JOUR
DO - 10.3390/chemistry2020022
UR - https://doi.org/10.3390/chemistry2020022
TI - A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules †
T2 - Chemistry
AU - Rablen, Paul R
PY - 2020
DA - 2020/04/30
PB - MDPI
SP - 347-360
IS - 2
VL - 2
SN - 2624-8549
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2020_Rablen,
author = {Paul R Rablen},
title = {A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules †},
journal = {Chemistry},
year = {2020},
volume = {2},
publisher = {MDPI},
month = {apr},
url = {https://doi.org/10.3390/chemistry2020022},
number = {2},
pages = {347--360},
doi = {10.3390/chemistry2020022}
}
Cite this
MLA
Copy
Rablen, Paul R.. “A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules †.” Chemistry, vol. 2, no. 2, Apr. 2020, pp. 347-360. https://doi.org/10.3390/chemistry2020022.