Mechanistic and kinetic investigations of N2H4 + OH reaction (English)
- New search for: Tang, Yizhen
- New search for: Sun, Jingyu
- New search for: Jia, Xiujuan
- New search for: Sun, Hao
- New search for: Pan, Xiumei
- New search for: Wang, Rongshun
- New search for: Tang, Yizhen
- New search for: Sun, Jingyu
- New search for: Jia, Xiujuan
- New search for: Sun, Hao
- New search for: Pan, Xiumei
- New search for: Wang, Rongshun
In:
Journal of Computational Chemistry
;
31
, 7
;
1520-1527
;
2010
- Article (Journal) / Electronic Resource
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Title:Mechanistic and kinetic investigations of N2H4 + OH reaction
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Contributors:Tang, Yizhen ( author ) / Sun, Jingyu ( author ) / Jia, Xiujuan ( author ) / Sun, Hao ( author ) / Pan, Xiumei ( author ) / Wang, Rongshun ( author )
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Published in:Journal of Computational Chemistry ; 31, 7 ; 1520-1527
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Publisher:
- New search for: Wiley Subscription Services, Inc., A Wiley Company
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Publication date:2010-05-01
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Size:8 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 31, Issue 7
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.
- 1345
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MDLab: A molecular dynamics simulation prototyping environmentCickovski, Trevor / Chatterjee, Santanu / Wenger, Jacob / Sweet, Christopher R. / Izaguirre, Jesús A. et al. | 2010
- 1357
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Conformational populations of ligand‐sized molecules by replica exchange molecular dynamics and temperature reweightingOkumura, Hisashi / Gallicchio, Emilio / Levy, Ronald M. et al. | 2010
- 1368
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Accurate free energy calculation along optimized pathsChen, Changjun / Xiao, Yi et al. | 2010
- 1376
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DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complexQi, Na / Liao, Rong‐Zhen / Yu, Jian‐Guo / Liu, Ruo‐Zhuang et al. | 2010
- 1385
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Quantum mechanics and quasiclassical study of the H/D+FO → OH/OD+F, HF/DF+O reactions: Chemical stereodynamicsChu, Tianshu et al. | 2010
- 1397
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Theoretical study on HBO+ and HOB+ cations using multiconfiguration second‐order perturbation theoryLi, Wen‐Zuo / Cheng, Jian‐Bo / Li, Qing‐Zhong / Gong, Bao‐An / Sun, Jia‐Zhong et al. | 2010
- 1402
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Symmetrization of the AMBER and CHARMM force fieldsMałolepsza, Edyta / Strodel, Birgit / Khalili, Mey / Trygubenko, Semen / Fejer, Szilard N. / Wales, David J. et al. | 2010
- 1410
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A scheme for rapid prediction of cooperativity in hydrogen bond chains of formamides, acetamides, and N‐methylformamidesJiang, Xiao‐Nan / Sun, Chang‐Liang / Wang, Chang‐Sheng et al. | 2010
- 1421
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Reaction pathways of propene pyrolysisQu, Yena / Su, Kehe / Wang, Xin / Liu, Yan / Zeng, Qingfeng / Cheng, Laifei / Zhang, Litong et al. | 2010
- 1443
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Canonical Monte Carlo simulation of adsorption of O2 and N2 mixture on single walled carbon nanotube at different temperatures and pressuresRafati, Amir Abbas / Hashemianzadeh, Sayed Majid / Nojini, Zabiollah Bolboli / Naghshineh, Negin et al. | 2010
- 1450
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Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene‐phenylene), based on TD‐DFT investigationChidthong, Rungtiwa / Hannongbua, Supa et al. | 2010
- 1458
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Density functional theory study of calix[4]arene‐N‐azacrown‐5, calix[4]arene‐N‐phenyl‐azacrown‐5, and their complexes with alkali‐metal cations: Na+, K+, and Rb+Zheng, Xiaoyan / Wang, Xueye / Yi, Shanfeng / Wang, Nuanqing / Peng, Yueming et al. | 2010
- 1469
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Wavelet formulation of the polarizable continuum modelWeijo, Ville / Randrianarivony, Maharavo / Harbrecht, Helmut / Frediani, Luca et al. | 2010
- 1478
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Improving the accuracy of predicting disulfide connectivity by feature selectionZhu, Lin / Yang, Jie / Song, Jiang‐Ning / Chou, Kuo‐Chen / Shen, Hong‐Bin et al. | 2010
- 1486
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Radial‐template approach for accurate density representation in computational quantum theoryMiljacic, Lj. / Ellis, D. E. et al. | 2010
- 1495
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Generation and characterization of low‐energy structures in atomic clustersMarques, J. M. C. / Pais, A. A. C. C. / Abreu, P. E. et al. | 2010
- 1504
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Electron localizability indicators ELI–D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2Bezugly, Viktor / Wielgus, Pawel / Kohout, Miroslav / Wagner, Frank R. et al. | 2010
- 1520
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Mechanistic and kinetic investigations of N2H4 + OH reactionTang, Yizhen / Sun, Jingyu / Jia, Xiujuan / Sun, Hao / Pan, Xiumei / Wang, Rongshun et al. | 2010
- 1528
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A dimensionless reaction coordinate for quantifying the lateness of transition statesManz, Thomas A. / Sholl, David S. et al. | 2010
- 1542
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Ab initio prediction of the structure and vibration‐rotation spectroscopic properties of Na2OH and K2OHGertych, Artur / Koput, Jacek et al. | 2010
- 1550
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A molecular mechanics model for imatinib and imatinib:kinase bindingAleksandrov, Alexey / Simonson, Thomas et al. | 2010
- 1561
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Fast determination of the optimal rotational matrix for macromolecular superpositionsLiu, Pu / Agrafiotis, Dimitris K. / Theobald, Douglas L. et al. | 2010
- 1564
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Computational screening of biomolecular adsorption and self‐assembly on nanoscale surfacesHeinz, Hendrik et al. | 2010