Ability of DFT to evaluate the torsional barriers in neutral and CO* protonated aromatic carbonyl compounds (English)
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In:
Journal of Physical Organic Chemistry
;
27
, 5
;
430-439
;
2014
- Article (Journal) / Electronic Resource
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Title:Ability of DFT to evaluate the torsional barriers in neutral and CO* protonated aromatic carbonyl compounds
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Contributors:Haloui, Abir ( author ) / Haloui, Ezzeddine ( author )
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Published in:Journal of Physical Organic Chemistry ; 27, 5 ; 430-439
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Publisher:
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Publication date:2014-05-01
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Size:10 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 27, Issue 5
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 373
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PROFILE: Early Excellence in Physical Organic ChemistryCorminboeuf, Clemence et al. | 2014
- 374
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The 2‐norbornyl cation: a retrospectiveMoss, Robert A. et al. | 2014
- 380
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CTED: the new aromaticity index based on corrected total electron density at bond critical pointsTokatlı, Ahmet / Ucun, Fatih et al. | 2014
- 387
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Chemically triggered C–ON bond homolysis in alkoxyamines. Part 7. Remote polar effectAudran, Gérard / Ibanou, Matisse Bim Batsiandzy / Brémond, Paul / Marque, Sylvain R. A. / Obame, Germain / Roubaud, Valérie / Siri, Didier et al. | 2014
- 392
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Understanding halogen‐substituent assistance in H‐atom abstraction‐based reactions of CHCl•− with CH4 − nXn (X = H, F, Cl; n = 0–3)Junxi, Liang / Yu, Li / Qiang, Zhang / Zhiyuan, Geng et al. | 2014
- 401
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4‐Phenyl‐1,2,4‐triazoline‐3,5‐dione in the ene reactions with cyclohexene, 1‐hexene and 2,3‐dimethyl‐2‐butene. The heat of reaction and the influence of temperature and pressure on the reaction rateKiselev, Vladimir D. / Kornilov, Dmitry A. / Kashaeva, Helen A. / Potapova, Lyubov N. / Konovalov, Alexander I. et al. | 2014
- 407
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Kinetic study of the formation of N‐chloro compounds using N‐chlorosuccinimidePastoriza, Cristina / Antelo, Juan Manuel / Crugeiras, Juan / Peña‐Gallego, Angeles et al. | 2014
- 419
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Density functional theory study of methoxide promoted and Zn(II)‐complexed methoxide promoted cleavages of aryl‐ and alkyl acetates in methanol. Transition from concerted to stepwise processes as a function of leaving group abilityMaxwell, Christopher I. / Neverov, Alexei A. / Mosey, Nicholas J. / Stan Brown, R. et al. | 2014
- 430
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Ability of DFT to evaluate the torsional barriers in neutral and CO* protonated aromatic carbonyl compoundsHaloui, Abir / Haloui, Ezzeddine et al. | 2014
- 440
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Kinetics and mechanism for the oxidation of anilines by ClO2: a combined experimental and computational studyAguilar, Carlos Alberto Huerta / Narayanan, Jayanthi / Singh, Narinder / Thangarasu, Pandiyan et al. | 2014
- 450
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Kinetics and mechanisms of gas‐phase decarbonylation of α‐methyl‐trans‐cinamaldehyde and E‐2‐methyl‐2‐pentenal under homogeneous catalysis of hydrogen chlorideJulio, Libia L. / Lezama, Jesus / Maldonado, Alexis / Mora, José R. / Chuchani, Gabriel et al. | 2014
- 456
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On dimers and complexes of tetracene and the Kasha's molecular excitonic modelCatalán, Javier et al. | 2014
- i
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Issue Information| 2014