Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation (English)
- New search for: Peverati, Roberto
- New search for: Peverati, Roberto
- New search for: Siegel, Jay S.
- New search for: Baldridge, Kim K.
In:
Physical chemistry, chemical physics
;
11
, 14
; 2387-2395
;
2009
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ISSN:
- Article (Journal) / Print
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Title:Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formation
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Contributors:
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Published in:Physical chemistry, chemical physics ; 11, 14 ; 2387-2395
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Publisher:
- New search for: The Royal Soc. of Chemistry
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Place of publication:Cambridge
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Publication date:2009
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Source:
Table of contents – Volume 11, Issue 14
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.
- 2341
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Front cover| 2009
- 2342
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Inside front cover| 2009
- 2343
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Contents and Chemical Technology| 2009
- 2355
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Multireference state-specific coupled-cluster methods. State-of-the-art and perspectivesIvanov, Vladimir V. et al. | 2009
- 2371
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Proposed thermodynamic method to predict the glass formation of the ternary transition metal systemsWang, T. L. / Li, J. H. / Liu, B. X. et al. | 2009
- 2374
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In-depth nano-scale analysis of complex interactions of Hg with gold nanostructures using AFM-based power spectrum density methodSawant, Prashant D. / Sabri, Ylias M. / Ippolito, Samuel J. / Bansal, Vipul / Bhargava, Suresh K. et al. | 2009
- 2379
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Mechanism of nitric oxide induced deamination of cytosineLabet, Vanessa / Grand, André / Morell, Christophe / Cadet, Jean / Eriksson, Leif A. et al. | 2009
- 2387
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Ab initio quantum chemical computations of substituent effects on triaziridine strain energy and heat of formationPeverati, Roberto / Siegel, Jay S. / Baldridge, Kim K. et al. | 2009
- 2396
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Density functional theory study of the aluminium(iii) hydrolysis in aqueous solutionYang, Wenjing / Qian, Zhaosheng / Miao, Qiang / Wang, Yingjie / Bi, Shuping et al. | 2009
- 2402
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Prediction and characterization of the HMgH.LiX (XLi, Qingzhong et al. | 2009
- 2402
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Prediction and characterization of the HMgH⋯LiX (X = H, OH, F, CCH, CN, and NC) complexes: a lithium–hydride lithium bondLi, Qingzhong / Wang, Yifang / Li, Wenzuo / Cheng, Jianbo / Gong, Baoan / Sun, Jiazhong et al. | 2009
- 2408
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Application of a new statistical mechanical model for calculating Kirkwood factors in self associating liquid systems to alkanol + CCl4 mixturesVasiltsova, Tatiana / Heintz, Andrea / Nadolny, Holger / Weingärtner, Hermann et al. | 2009
- 2420
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Vibrational analysis as a powerful tool in structure elucidation of polyarsenicals: a DFT-based investigation of arsenicin AGuella, Graziano / Mancini, Ine / Mariotto, Gino / Rossi, Barbara / Viliani, Gabriele et al. | 2009
- 2428
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The anharmonic force field of 1,3-cyclopentadienesCané, Elisabetta / Trombetti, Agostino et al. | 2009
- 2433
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The conformational landscape of 5-methoxytryptamine studied by rotationally resolved fluorescence spectroscopy and resonant ionization spectroscopyVu, Thi Bao Chau / Kalkman, Ivo / Meerts, W. Leo / Brand, Christian / Svartsov, Yuriy N. / Wiedemann, Sascha / Weinkauf, Rainer / Schmitt, Michael et al. | 2009
- 2441
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The importance of phase in the radical-initiated oxidation of model organic aerosols: reactions of solid and liquid brassidic acid particlesRenbaum, Lindsay H. / Smith, Geoffrey D. et al. | 2009
- 2452
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On the components of the dielectric constants of ionic liquids: ionic polarization?Izgorodina, Ekaterina I. / Forsyth, Maria / MacFarlane, Douglas R. et al. | 2009
- 2459
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Conformational preference of a chiral terpene: vibrational circular dichroism (VCD), infrared and Raman study of S-(−)-limonene oxideMoreno, Juan Ramón Avilé / Ureña, Francisco Partal / González, Juan Jesús López et al. | 2009
- 2468
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Film formation and surface gelation of gelatin molecules at the water/air interfaceLeick, Sabine / Degen, Patrick / Köhler, Berthold / Rehage, Heinz et al. | 2009
- 2475
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Photophysical and spectroscopic manifestations of the low-lying πσ* state of 4-(dimethylamino)benzethyne: solvent-polarity dependence of fluorescence and excited-state absorptionsFujiwara, Takashige / Lee, Jae-Kwang / Zgierski, Marek Z. / Lim, Edward C. et al. | 2009
- 2475
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Photophysical and spectroscopic manifestations of the low-lying p* state of 4-(dimethylamino)benzethyne: solvent-polarity dependence of fluorescence and excited-state absorptionsFujiwara, T. / Lee, J. K. / Zgierski, M. / Lim, E. et al. | 2009
- 2480
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Contribution of charge-transfer effect to surface-enhanced IR for Ag@PPy nanoparticlesYe, Sunjie / Fang, Li / Lu, Yun et al. | 2009
- 2485
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Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenonHanni, Matti / Lantto, Perttu / Vaara, Juha et al. | 2009
- 2497
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The role of defective silica surfaces in exogenous delivery of prebiotic compounds: clues from first principles calculationsRimola, Albert / Ugliengo, Piero et al. | 2009
- 2507
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Promoted hydrogen release from ammonia borane by mechanically milling with magnesium hydride: a new destabilizing approachKang, Xiangdong / Ma, Laipeng / Fang, Zhanzhao / Gao, Lili / Luo, Junhong / Wang, Sucheng / Wang, Ping et al. | 2009
- 2514
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Nitrite and nitrate formation on model NOx storage materials: on the influence of particle size and compositionDesikusumastuti, A. / Qin, Z. / Happel, M. / Staudt, T. / Lykhach, Y. / Laurin, M. / Rohr, F. / Shaikhutdinov, S. / Libuda, J. et al. | 2009
- 2525
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Manipulation of the local density of photonic states to elucidate fluorescent protein emission ratesCesa, Yanina / Blum, Christian / van den Broek, Johanna M. / Mosk, Allard P. / Vos, Willem L. / Subramaniam, Vinod et al. | 2009
- 2532
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Protein S–S bridge reduction: a Raman and computational study of lysozyme interaction with TCEPDavid, Catalina / Foley, Sarah / Enescu, Mironel et al. | 2009
- 2543
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Theoretical study of intermolecular interactions in meso-tetraphenylporphyrin diacid dimer (H4TPPCl2)2Ma, Yan-Ping / He, Sheng-Gui / Ding, Xun-Lei / Wang, Zhe-Chen / Xue, Wei / Shi, Qiang et al. | 2009
- 2553
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The size dependence of the surface free energy of titania nanocrystalsZhang, Hengzhong / Chen, Bin / Banfield, Jillian F. et al. | 2009
- 2559
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Back cover| 2009