Ab initio molecular orbital and density functional studies on the ring-opening reaction of 2H-thiete (English)
- New search for: Jayaprakash, S.
- New search for: Jeevanandam, Jebakumar
- New search for: Subramani, K.
- New search for: Sangeetha, A.
- New search for: Jayaprakash, S.
- New search for: Jeevanandam, Jebakumar
- New search for: Subramani, K.
- New search for: Sangeetha, A.
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Ab initio molecular orbital and density functional studies on the ring-opening reaction of 2H-thiete
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Contributors:Jayaprakash, S. ( author ) / Jeevanandam, Jebakumar ( author ) / Subramani, K. ( author ) / Sangeetha, A. ( author )
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Publisher:
- New search for: Elsevier B.V.
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Publication date:2015-01-10
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Size:4 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 1056
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.
- 1
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Mechanism of the collision energy and reagent vibration’s effects on the collision time for the reaction Ca+HClHe, Xiaohu / Chao (Wu), Victor Wei-Keh / Han, Keli / Hao, Ce / Zhang, Yan et al. | 2014
- 11
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Effects of substituent groups and solvent media on Pyrene in ground and excited states: A DFT and TDDFT studyÖrücü, Hümeyra / Acar, Nursel et al. | 2015
- 19
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Theoretical study of reactions of atomic carbon with some π-systemsSauers, Ronald R. et al. | 2014
- 24
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Study of structures, energies and vibrational frequencies of (O2)n + (n =2–5) clusters by GGA and meta-GGA density functional methodsKhanal, Govinda Prasad / Parajuli, Rajendra / Arunan, Elangannan / Yamabe, Shinichi / Hiraoka, Kenzo / Torikai, Eiko et al. | 2014
- 37
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Density functional theory study of potassium atom adsorbing on the interior and exterior of a series of carbon nanotubesYang, Junwei / Yuan, Yanhong / Zhao, Hua et al. | 2015
- 41
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A DFT study on the difference of C–H bond activation by Pd(II) and Pd(IV) complexZhao, Xue / Sun, Chuanzhi / Lu, Yating / Xing, Zhong / Sun, Nan / Chen, Dezhan et al. | 2015
- 47
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A new ab initio potential energy surface and infrared spectra for the Ne–CS2 complexHu, Yun / Yuan, Ting / Zhu, Hua et al. | 2014
- 52
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Ab initio molecular orbital and density functional studies on the ring-opening reaction of 2H-thieteJayaprakash, S. / Jeevanandam, Jebakumar / Subramani, K. / Sangeetha, A. et al. | 2015
- 56
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First-principles study of lithium insertion into Si10H16 clusterSun, Yong-Lie / Song, Hui-Lin / Yang, Yang / Hu, Jin-Hang / Wu, Chun-Di / Chen, Zhen-Yu / Wu, Qi-Hui et al. | 2015
- 61
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A comparison of the Simmons-Smith reaction with carbenoids to nitrenoids and oxenoidsKhani, Sarah Karbalaei / Cundari, Thomas R. et al. | 2015
- IFC
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Editorial Board| 2015