Fusing cubanes to 1,5-hexadiene

Literature Information

Publication Date 2012-07-02
DOI 10.1039/C2CP41844D
Impact Factor 3.676
Authors

Jason G. Harrison, Dean J. Tantillo


View Original

Abstract

Density functional theory calculations are used to predict structures and reactivity (barriers for sigmatropic shifts and retrocycloadditions) of 1,5-hexadienes fused to cubanes.

Related Literature

HP-β-cyclodextrin as an inhibitor of amyloid-β aggregation and toxicity

Rundong Hu, Mingzhen Zhang, Hong Chen, Yan Sun, Lingyun Jia, Jie Zheng

2016-06-28 Paper

DOI: 10.1039/C6CP03582E

Quantum mechanical study of the β- and δ-lyase reactions during the base excision repair process: application to FPG

Shahin Sowlati-Hashjin, Stacey D. Wetmore

2015-09-02 Paper

DOI: 10.1039/C5CP04250J

New organophilic kaolin clays based on single-point grafted 3-aminopropyl dimethylethoxysilane

A. Zaharia, F.-X. Perrin, M. Teodorescu, A.-L. Radu, T.-V. Iordache, A.-M. Florea, D. Donescu, A. Sarbu

2015-08-27 Paper

DOI: 10.1039/C5CP04395F

Near infrared electroluminescence of ZnMgO/InN core–shell nanorod heterostructures grown on Si substrate

Guoguang Wu, Weitao Zheng, Fubin Gao, Hang Yang, Yang Zhao, Jingzhi Yin, Wei Zheng, Wancheng Li, Baolin Zhang, Guotong Du

2016-06-07 Paper

DOI: 10.1039/C6CP03199D

Structural, optical and photoelectrochemical characterizations of monoclinic Ta3N5 thin films

Sherdil Khan, Maximiliano J. M. Zapata, Marcelo B. Pereira, Renato V. Gonçalves, Lukas Strizik, Jairton Dupont, Marcos J. L. Santos, Sérgio R. Teixeira

2015-08-10 Paper

DOI: 10.1039/C5CP03645C

Illuminating solid gas storage in confined spaces – methane hydrate formation in porous model carbons

Lars Borchardt, Winfried Nickel, Mirian Casco, Irena Senkovska, Volodymyr Bon, Dirk Wallacher, Nico Grimm, Simon Krause, Joaquín Silvestre-Albero

2016-07-07 Paper

DOI: 10.1039/C6CP03993F

You might also like

Compound Q&A

What precautions should be taken when handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3)?

When handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3), safety go...

40716-16-34-Methyl-6-(trifluor...
Compound Q&A

What is 4-(3,5-Difluorophenyl)aniline (CAS: 405058-00-6)?

4-(3,5-Difluorophenyl)aniline is an aromatic organic compound with the CAS numbe...

405058-00-64-(3,5-Difluoropheny...
Compound Q&A

How is 5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338982-07-3) typically synthesized?

5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid can ...

338982-07-35-{[4-(Trifluorometh...
Compound Q&A

What is the market or research trend for 4-Benzylaniline hydrochloride (CAS: 6317-57-3)?

The market for 4-Benzylaniline hydrochloride (CAS: 6317-57-3) is steadily growin...

6317-57-34-Benzylaniline hydr...
Compound Q&A

Is [3-(Diethylsulfamoyl)phenyl]boronic acid (CAS: 871329-58-7) safe?

[3-(Diethylsulfamoyl)phenyl]boronic acid is generally considered safe when handl...

871329-58-7[3-(Diethylsulfamoyl...
Compound Q&A

What are the main uses of 3-Bromo-2,5-dimethoxyaniline (CAS: 115929-62-9)?

3-Bromo-2,5-dimethoxyaniline is mainly used in the pharmaceutical and chemical i...

115929-62-93-Bromo-2,5-dimethox...
Compound Q&A

What regulatory guidelines apply to N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7)?

N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7) is subject to ...

915922-67-7N-Methyl-1-(5-methyl...
Compound Q&A

What industries use Carbamic acid, N-[(5S)-5,6-diamino-6-oxohexyl]-, 1,1-dimethylethyl ester (CAS: 24828-96-4)?

This compound is primarily used in the pharmaceutical industry for the synthesis...

24828-96-4Carbamic acid, N-[(5...
Compound Q&A

How should 2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) be stored?

2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) sho...

1298101-47-92-Methyl-2-propanyl ...
Compound Q&A

What industries use Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9)?

Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9) is utilized in the pharma...

367-33-9Ethyl 2-bromo-4,4,4-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.