Comprehensive Theoretical Studies on the Gas Phase SN2 Reactions of Anionic Nucleophiles toward Chloroamine and N-Chlorodimethylamine with Inversion and Retention Mechanisms (Unknown)
- New search for: Ren, Yi
- New search for: Geng, Song
- New search for: Wei, Xi-Guang
- New search for: Wong, Ning-Bew
- New search for: Li, Wai-Kee
- New search for: Ren, Yi
- New search for: Geng, Song
- New search for: Wei, Xi-Guang
- New search for: Wong, Ning-Bew
- New search for: Li, Wai-Kee
In:
The Journal of Physical Chemistry A
;
115
, 47
;
13965-13974
;
2011
- Article (Journal) / Electronic Resource
-
Title:Comprehensive Theoretical Studies on the Gas Phase SN2 Reactions of Anionic Nucleophiles toward Chloroamine and N-Chlorodimethylamine with Inversion and Retention Mechanisms
-
Additional title:J. Phys. Chem. A
-
Contributors:Ren, Yi ( author ) / Geng, Song ( author ) / Wei, Xi-Guang ( author ) / Wong, Ning-Bew ( author ) / Li, Wai-Kee ( author )
-
Published in:The Journal of Physical Chemistry A ; 115, 47 ; 13965-13974
-
Publisher:
- New search for: American Chemical Society
-
Publication date:2011-12-01
-
ISSN:
-
Coden:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:Unknown
-
Source:
Table of contents – Volume 115, Issue 47
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.
- 13733
-
Excited State Relaxation Dynamics of Model Green Fluorescent Protein Chromophore Analogs: Evidence for Cis–Trans IsomerismRather, Shahnawaz R. / Rajbongshi, Basanta Kumar / Nair, Nisanth N. / Sen, Pratik / Ramanathan, Gurunath et al. | 2011
- 13743
-
Theoretical Studies for Excited-State Tautomerization in the 7-Azaindole–(CH3OH) n (n = 1 and 2) Complexes in the Gas PhaseFang, Hua / Kim, Yongho et al. | 2011
- 13753
-
Low-Energy Electron-Induced Single Strand Breaks in 2′-Deoxycytidine-3′-monophosphate Using the Local Complex Potential Based Time-Dependent Wave Packet ApproachB, Renjith / Bhowmick, Somnath / Mishra, Manoj K. / Sarma, Manabendra et al. | 2011
- 13759
-
Theoretical Study of the F + NH3 and F + ND3 Reactions: Mechanism and Comparison with ExperimentEspinosa-García, J. / Monge-Palacios, M. et al. | 2011
- 13764
-
Comparison of the Photophysical Properties of a Planar, PtOEP, and a Nonplanar, PtOETPP, Porphyrin in Solution and Doped FilmsNifiatis, Fotis / Su, Weijie / Haley, Joy E. / Slagle, Jonathan E. / Cooper, Thomas M. et al. | 2011
- 13773
-
Kinetic Insights over a PEMFC Operating on Stationary and Oscillatory StatesMota, Andressa / Gonzalez, Ernesto R. / Eiswirth, Markus et al. | 2011
- 13783
-
Evolution of Amide Stacking in Larger gamma -Peptides: Triamide H-Bonded CyclesJames, W.H. / Buchanan, E.G. / Muller, C.W. / Dean, J.C. / Kosenkov, D. / Slipchenko, L.V. / Guo, L. / Reidenbach, A.G. / Gellman, S.H. / Zwier, T.S. et al. | 2011
- 13783
-
Evolution of Amide Stacking in Larger γ-Peptides: Triamide H-Bonded CyclesIII, William H. James / Buchanan, Evan G. / Müller, Christian W. / Dean, Jacob C. / Kosenkov, Dmytro / Slipchenko, Lyudmila V. / Guo, Li / Reidenbach, Andrew G. / Gellman, Samuel H. / Zwier, Timothy S. et al. | 2011
- 13799
-
Transient Innermolecular Carbene–Hemicarcerand Complex of FluorophenylcarbeneLu, Zhifeng / Moss, Robert A. / Warmuth, Ralf / Krogh-Jespersen, Karsten et al. | 2011
- 13804
-
H2O Broadening of a CO2 Line and Its Nearest Neighbors Near 6360 cm–1Wallace, C. J. / Jeon, C. / Anderson, C. N. / Havey, D. K. et al. | 2011
- 13811
-
Toward Panchromatic Organic Functional Molecules: Density Functional Theory Study on the Electronic Absorption Spectra of Substituted TetraanthracenylporphyrinsQi, Dongdong / Jiang, Jianzhuang et al. | 2011
- 13821
-
Study on the Luminescence and Energy Level of Lanthanide Ions in Lu0.8Sc0.2BO3 HostWu, Yuntao / Ren, Guohao / Nikl, Martin / Ding, Dongzhou / Wang, Jiayu / Shang, Shanshan / Yang, Fan / Pan, Shangke et al. | 2011
- 13829
-
Thermal, Rheological, and Ion-Transport Properties of Phosphonium-Based Ionic LiquidsGreen, Matthew D. / Schreiner, Christian / Long, Timothy E. et al. | 2011
- 13836
-
Hydrothermally Enhanced Electrochemical Oxidation of High Concentration Refractory Perfluorooctanoic AcidXiao, Hanshuang / Lv, Baoying / Zhao, Guohua / Wang, Yujing / Li, Mingfang / Li, Dongming et al. | 2011
- 13842
-
Solid/Liquid Phase Diagram of the Ammonium Sulfate/Maleic Acid/Water SystemBeyer, Keith D. / Schroeder, Jason R. / Pearson, Christian S. et al. | 2011
- 13852
-
Design of Covalent Organic Frameworks for Methane StorageMendoza-Cortes, Jose L. / Pascal, Tod A. / Goddard, William A. et al. | 2011
- 13858
-
Theoretical Studies on the Heats of Formation, Detonation Properties, and Pyrolysis Mechanisms of Energetic Cyclic NitraminesWang, Fang / Wang, Guixiang / Du, Hongchen / Zhang, Jianying / Gong, Xuedong et al. | 2011
- 13865
-
Crystal Structure, Spectroscopy, and Quantum Chemical Studies of (E)-2-[(2-Chlorophenyl)iminomethyl]-4-trifluoromethoxyphenolTanak, Hasan et al. | 2011
- 13877
-
Topological Ring-Currents and Bond-Currents in Some Nonalternant Isomers of CoroneneDickens, Timothy K. / Mallion, Roger B. et al. | 2011
- 13885
-
Fully Computational Lead-Development of Fluoro-Olefin Polymerization CatalystsWerner, Jan-Philipp / Burger, Peter et al. | 2011
- 13896
-
Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene CarbonateXing, Lidan / Borodin, Oleg / Smith, Grant D. / Li, Weishan et al. | 2011
- 13906
-
Computational Methods To Calculate Accurate Activation and Reaction Energies of 1,3-Dipolar Cycloadditions of 24 1,3-DipolesLan, Yu / Zou, Lufeng / Cao, Yang / Houk, K. N. et al. | 2011
- 13921
-
Structures, Internal Rotor Potentials, and Thermochemical Properties for a Series of Nitrocarbonyls, Nitroolefins, Corresponding Nitrites, and Their Carbon Centered RadicalsSnitsiriwat, Suarwee / Asatryan, Rubik / Bozzelli, Joseph W. et al. | 2011
- 13931
-
Electronic Transition Moment for the 00 0 Band of the à ← X̃ Transition in the Ethyl Peroxy RadicalMelnik, Dmitry / Thomas, Phillip S. / Miller, Terry A. et al. | 2011
- 13931
-
Electronic Transition Moment for the O~0^0 Band of the A ← X Transition in the Ethyl Peroxy RadicalMelnik, D. / Thomas, P.S. / Miller, T.A. et al. | 2011
- 13942
-
Charge Shift Bonding Concept in Radical π-DimersTian, Yong-Hui / Kertesz, Miklos et al. | 2011
- 13950
-
Magnetic Cooperative Effects in Small Ni–Ru ClustersAguilera-Granja, F. / Longo, R. C. / Gallego, L. J. / Vega, A. et al. | 2011
- 13956
-
Assignment of the Photoelectron Spectra of FeS3 – by Density Functional Theory, CASPT2, and RCCSD(T) CalculationsTran, Van Tan / Hendrickx, Marc F. A. et al. | 2011
- 13965
-
Comprehensive Theoretical Studies on the Gas Phase SN2 Reactions of Anionic Nucleophiles toward Chloroamine and N-Chlorodimethylamine with Inversion and Retention MechanismsRen, Yi / Geng, Song / Wei, Xi-Guang / Wong, Ning-Bew / Li, Wai-Kee et al. | 2011
- 13975
-
Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of MethanolKoné, Mawa / Illien, Bertrand / Laurence, Christian / Graton, Jérôme et al. | 2011