Water-catalyzed decomposition of the simplest Criegee intermediate CH2OO (English)
- New search for: Chen, Long
- New search for: Chen, Long
- New search for: Wang, Wenliang
- New search for: Wang, Weina
- New search for: Liu, Yanli
- New search for: Liu, Fengyi
- New search for: Liu, Ning
- New search for: Wang, Bozhou
In:
Theoretical chemistry accounts
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135
, 5
; 1-13
;
2016
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ISSN:
- Article (Journal) / Print
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Title:Water-catalyzed decomposition of the simplest Criegee intermediate CH2OO
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Contributors:Chen, Long ( author ) / Wang, Wenliang / Wang, Weina / Liu, Yanli / Liu, Fengyi / Liu, Ning / Wang, Bozhou
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Published in:Theoretical chemistry accounts ; 135, 5 ; 1-13
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Publisher:
- New search for: Springer
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Place of publication:Berlin
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Publication date:2016
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Keywords:
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Source:
Table of contents – Volume 135, 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.
- 1
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Competition reaction-based prediction of polyamines’ stepwise protonation constants: a case study involving 1,4,7,10-tetraazadecane (2,2,2-tet)Adeyinka, Adedapo S. / Bulling, Bryan W. / Cukrowski, Ignacy et al. | 2016
- 1
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Investigating the properties of muchimangin B through comparisons with related and model structuresMammino, Liliana et al. | 2016
- 1
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Experimental and density functional study on electronic structure and electronic circular dichroism of the phenylpyrazole insecticides enantiomers and the probable chiral catabolitesGou, Gao-Zhang / Zhou, Bo / Shi, Ling / Chi, Shao-Ming / Mang, Chao-Yong / Liu, Wei et al. | 2016
- 1
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Comparing classical approaches with empirical or quantum-mechanically derived force fields for the simulation electronic lineshapes: application to coumarin dyesCerezo, Javier / Santoro, Fabrizio / Prampolini, Giacomo et al. | 2016
- 1
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The optical properties of CuPbSbS3-bournonite with photovoltaic applicationsTablero, C. et al. | 2016
- 1
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Dipole analyses for short-circuit current in organic photovoltaic devices of diketopyrrolopyrrole-based donor and PCBMKoda, Shohei / Fujii, Mikiya / Hatamiya, Shintaro / Yamashita, Koichi et al. | 2016
- 1
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Unraveling charge transfer processes with the quantum theory of atoms-in-moleculesTognetti, Vincent / Joubert, Laurent et al. | 2016
- 1
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Encapsulation of small gas molecules and rare gas atoms inside the octa acid cavitandChakraborty, Debdutta / Pan, Sudip / Chattaraj, Pratim K. et al. | 2016
- 1
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A complete basis set study of the lowest n–π* and π–π* electronic transitions of acrolein in explicit water environmentBistafa, Carlos / Modesto-Costa, Lucas / Canuto, Sylvio et al. | 2016
- 1
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A systematic, quantum-mechanical, finite-order approach for the quantitative determination of molecular internal electric fields in guest–host systems from Stark spectroscopyWagie, Hannah E. / Woehl, Jӧrg C. / Geissinger, Peter et al. | 2016
- 1
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Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectraGiussani, Angelo / Segarra-Martí, Javier / Nenov, Artur / Rivalta, Ivan / Tolomelli, Alessandra / Mukamel, Shaul / Garavelli, Marco et al. | 2016
- 1
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Experimental and first-principles IR characterization of quercetin adsorbed on a silica surfaceHalo, M. / Ferrari, A. M. / Berlier, G. / Miletto, I. / Casassa, S. et al. | 2016
- 1
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Ground and low-lying excited states of PtCN and PdCN: theoretical investigation including spin–orbit couplingMoon, Jiwon / Kim, Tae Kyu / Kim, Joonghan et al. | 2016
- 1
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The influence of the DFT approach on the structure and relative stability of models for cellulose I allomorphsNavarrete-López, Alejandra M. / San-Román, María Luisa / Zicovich-Wilson, Claudio M. et al. | 2016
- 1
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What roles do the residue Asp229 and the coordination variation of calcium play of the reaction mechanism of the diisopropyl-fluorophosphatase? A DFT investigationXu, Chao / Yang, Ling / Yu, Jian-Guo / Liao, Rong-Zhen et al. | 2016
- 1
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Accurate multi-reference study of Si3 electronic manifoldGonçalves, C. E. M. / Galvão, B. R. L. / Braga, J. P. et al. | 2016
- 1
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Tautomerization mechanism and spectral properties of porphyrin–glucose complexes as models of antibacterial materialMenéndez, M. Isabel / López, Ramón / Yañez, Mauricio / Cárdenas-Jirón, Gloria et al. | 2016
- 1
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Noble gas endohedral fullerenes, Ng@C60 (Ng=Ar, Kr): a particular benchmark for assessing the account of non-covalent interactions by density functional theory calculationsFrecus, Bogdan / Buta, Cristina M. / Oprea, Corneliu I. / Stroppa, Alessandro / Putz, Mihai V. / Cimpoesu, Fanica et al. | 2016
- 1
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Competition between intramolecular hydrogen and pnictogen bonds in protonated systemsSánchez-Sanz, Goar / Trujillo, Cristina / Alkorta, Ibon / Elguero, José et al. | 2016
- 1
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Structural characteristics and photoinduced carrier behaviors of the mixed-phase BiVO4: a first-principles theoretical studyZhang, Lei / Ju, Ming-Gang / Liang, WanZhen et al. | 2016
- 1
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Photoinduced electron transfer in a dichromophoric peptide: a numerical experimentAschi, Massimiliano / D’Abramo, Marco / Amadei, Andrea et al. | 2016
- 1
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Water-catalyzed decomposition of the simplest Criegee intermediate CH2OOChen, Long / Wang, Wenliang / Wang, Weina / Liu, Yanli / Liu, Fengyi / Liu, Ning / Wang, Bozhou et al. | 2016
- 1
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Insights into the value of statistical models and relativistic effects for the investigation of halogenated derivatives of fluorescent probesRocha, Eduardo P. / Castro, Alexandre A. / Ramalho, Teodorico C. / Cunha, Elaine F. F. et al. | 2016
- 1
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Adiabatic and quasi-diabatic study of FrRb: structure, spectroscopy and dipole momentsJendoubi, Ibtissem / Ghanmi, Chedli / Berriche, Hamid. et al. | 2016
- 1
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TDDFT investigation on methylviologen, 3,7-diazabenzophosphole, and helical helquat electrochromic systemsDe Simone, Bruna Clara / Marino, Tiziana / Russo, Nino et al. | 2016
- 1
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Astaxanthin interacting with metal clusters: free radical scavenger and photovoltaic materialsMartínez, Ana et al. | 2016
- 1
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On the different strength of photoacidsCimino, Paola / Raucci, Umberto / Donati, Greta / Chiariello, Maria Gabriella / Schiazza, Martina / Coppola, Federico / Rega, Nadia et al. | 2016
- 1
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Global hybrid exchange energy functional with correct asymptotic behavior of the corresponding potentialCarmona-Espíndola, Javier / Gázquez, José L. / Vela, Alberto / Trickey, S. B. et al. | 2016
- 1
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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the light elements H–ArDyall, Kenneth G. et al. | 2016
- 1
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Theoretical insight into the coordination number of hydrated from gas phase to solutionJana, Chandramohan / Ohanessian, Gilles / Clavaguéra, Carine et al. | 2016
- 1
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Theoretical insight into the coordination number of hydrated Formula Not Shown from gas phase to solutionJana, C. / Ohanessian, G. / Clavaguéra, C. et al. | 2016
- 1
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Theoretical insight into the coordination number of hydrated $$\mathrm{Zn}^{2+}$$ Zn 2 + from gas phase to solutionJana, Chandramohan et al. | 2016