• journal/journal.article
• aip/jcp
• /content/aip/journal/jcp/126/21/10.1063/1.2743005
• jcp.aip.org
1887
No data available.
No metrics data to plot.
The attempt to plot a graph for these metrics has failed.
Isomers of
USD
10.1063/1.2743005
View Affiliations Hide Affiliations
Affiliations:
1 Department of Chemistry, Iowa State University, Ames, Iowa 50011
J. Chem. Phys. 126, 214310 (2007)
/content/aip/journal/jcp/126/21/10.1063/1.2743005
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/21/10.1063/1.2743005

## Figures

FIG. 1.

structures and symmetries.

## Tables

Table I.

Relative energies (kcal/mol) for neutral isomers. The relative triples contributions to the CCSD(T) method is listed as (T).

Table II.

Estimated large basis set CCSD(T) relative energies (kcal/mol) using Eq. (1). was estimated using as the small basis set and CCSD(T)/cc-pVTZ-PP was estimated using cc-pVDZ-PP as the small basis set.

Table III.

Relative energies (kcal/mol) and vertical ionization potential (vIP measured in eV) for calculations.

/content/aip/journal/jcp/126/21/10.1063/1.2743005
2007-06-07
2014-04-24

Article
content/aip/journal/jcp
Journal
5
3

### Most cited this month

More Less
This is a required field
{"extraction_info": {"found_math": false, "script_math_tex": 0, "script_math_asciimath": 0, "math_annotations": 0, "math_alttext": 0, "mathml": 0, "mathjax_tag": 0, "mathjax_inline_tex": 0, "mathjax_display_tex": 0, "mathjax_asciimath": 0, "img_math": 0, "codecogs_latex": 0, "wp_latex": 0, "mimetex.cgi": 0, "/images/math/codecogs": 0, "mathtex.cgi": 0, "katex": 0, "math-container": 0, "wp-katex-eq": 0, "align": 0, "equation": 0, "x-ck12": 0, "texerror": 0, "math_score": 0.869159996509552, "perplexity": 26064.352810557964}, "config": {"markdown_headings": true, "markdown_code": true, "boilerplate_config": {"ratio_threshold": 0.18, "absolute_threshold": 10, "end_threshold": 15, "enable": true}, "remove_buttons": true, "remove_image_figures": true, "remove_link_clusters": true, "table_config": {"min_rows": 2, "min_cols": 3, "format": "plain"}, "remove_chinese": true, "remove_edit_buttons": true, "extract_latex": true}, "warc_path": "s3://commoncrawl/crawl-data/CC-MAIN-2014-15/segments/1398223206147.1/warc/CC-MAIN-20140423032006-00253-ip-10-147-4-33.ec2.internal.warc.gz"}