Direct observation of unimolecular decay of CH3CH2CHOO Criegee intermediates to OH radical products (English)
- New search for: Fang, Yi
- New search for: Liu, Fang
- New search for: Klippenstein, Stephen J.
- New search for: Lester, Marsha I.
- New search for: Fang, Yi
- New search for: Liu, Fang
- New search for: Klippenstein, Stephen J.
- New search for: Lester, Marsha I.
In:
The Journal of Chemical Physics
;
145
, 4
;
9
;
2016
- Article (Journal) / Electronic Resource
-
Title:Direct observation of unimolecular decay of CH3CH2CHOO Criegee intermediates to OH radical products
-
Contributors:Fang, Yi ( author ) / Liu, Fang ( author ) / Klippenstein, Stephen J. ( author ) / Lester, Marsha I. ( author )
-
Published in:The Journal of Chemical Physics ; 145, 4 ; 9
-
Publisher:
- New search for: AIP Publishing LLC
-
Publication date:2016-07-28
-
Size:9 pages
-
ISSN:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 145, Issue 4
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.
-
Theoretical modeling of electron mobility in superfluid 4HeAitken, Frédéric / Bonifaci, Nelly / von Haeften, Klaus / Eloranta, Jussi et al. | 2016
-
[Sb4Au4Sb4]2−: A designer all-metal aromatic sandwichTian, Wen-Juan / Guo, Jin-Chang / Li, Da-Zhi / You, Xue-Rui / Wang, Ying-Jin / Sun, Zhong-Ming / Zhai, Hua-Jin et al. | 2016
-
Integral cross section measurements and product recoil velocity distributions of Xe2+ + N2 hyperthermal charge-transfer collisionsHause, Michael L. / Prince, Benjamin D. / Bemish, Raymond J. et al. | 2016
-
Photodissociation dynamics of the iodide-uracil (I−U) complexLi, Wei-Li / Kunin, Alice / Matthews, Edward / Yoshikawa, Naruo / Dessent, Caroline E. H. / Neumark, Daniel M. et al. | 2016
-
Freezing effects of oil-in-water emulsions studied by sum-frequency scattering spectroscopySmit, W. J. / Smolentsev, N. / Versluis, J. / Roke, S. / Bakker, H. J. et al. | 2016
-
Studies of spuriously shifting resonances in time-dependent density functional theoryLuo, Kai / Fuks, Johanna I. / Maitra, Neepa T. et al. | 2016
-
Origin of double-line structure in nonsequential double ionization by few-cycle laser pulsesHuang, Cheng / Zhong, Mingmin / Wu, Zhengmao et al. | 2016
-
The effects of replacing the water model while decoupling water-water and water-solute interactions on computed properties of simple saltsLi, Jicun / Wang, Feng et al. | 2016
-
Electron-hole pair effects in methane dissociative chemisorption on Ni(111)Luo, Xuan / Jiang, Bin / Juaristi, J. Iñaki / Alducin, Maite / Guo, Hua et al. | 2016
-
Nonequilibrium simulations of model ionomers in an oscillating electric fieldTing, Christina L. / Sorensen-Unruh, Karen E. / Stevens, Mark J. / Frischknecht, Amalie L. et al. | 2016
-
A canonical replica exchange molecular dynamics implementation with normal pressure in each replicaPeter, Emanuel K. / Pivkin, Igor V. / Shea, Joan-Emma et al. | 2016
-
Ultrafast photodynamics of pyrazine in the vacuum ultraviolet region studied by time-resolved photoelectron imaging using 7.8-eV pulsesHorio, Takuya / Suzuki, Yoshi-ichi / Suzuki, Toshinori et al. | 2016
-
Full observation of ultrafast cascaded radiationless transitions from S2(ππ∗) state of pyrazine using vacuum ultraviolet photoelectron imagingHorio, Takuya / Spesyvtsev, Roman / Nagashima, Kazuki / Ingle, Rebecca A. / Suzuki, Yoshi-ichi / Suzuki, Toshinori et al. | 2016
-
Influence of surface vacancy defects on the carburisation of Fe 110 surface by carbon monoxideChakrabarty, Aurab / Bouhali, Othmane / Mousseau, Normand / Becquart, Charlotte S. / El-Mellouhi, Fedwa et al. | 2016
-
A first principle particle mesh method for solution SAXS of large bio-molecular systemsMarchi, Massimo et al. | 2016
-
Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture compositionGlagolev, Mikhail K. / Vasilevskaya, Valentina V. / Khokhlov, Alexei R. et al. | 2016
-
Reducing spurious flow in simulations of electrokinetic phenomenaRempfer, Georg / Davies, Gary B. / Holm, Christian / de Graaf, Joost et al. | 2016
-
A deterministic alternative to the full configuration interaction quantum Monte Carlo methodTubman, Norm M. / Lee, Joonho / Takeshita, Tyler Y. / Head-Gordon, Martin / Whaley, K. Birgitta et al. | 2016
-
Multicomponent density functional theory embedding formulationCulpitt, Tanner / Brorsen, Kurt R. / Pak, Michael V. / Hammes-Schiffer, Sharon et al. | 2016
-
A density functional theory study of the adsorption behaviour of CO2 on Cu2O surfacesMishra, Abhishek Kumar / Roldan, Alberto / de Leeuw, Nora H. et al. | 2016
-
Analytic second derivative of the energy for density-functional tight-binding combined with the fragment molecular orbital methodNakata, Hiroya / Nishimoto, Yoshio / Fedorov, Dmitri G. et al. | 2016
-
Coupled cluster evaluation of the frequency dispersion of the first and second hyperpolarizabilities of water, methanol, and dimethyl etherBeaujean, Pierre / Champagne, Benoît et al. | 2016
-
Solvation structure of the halides from x-ray absorption spectroscopyAntalek, Matthew / Pace, Elisabetta / Hedman, Britt / Hodgson, Keith O. / Chillemi, Giovanni / Benfatto, Maurizio / Sarangi, Ritimukta / Frank, Patrick et al. | 2016
-
Using a pruned, nondirect product basis in conjunction with the multi-configuration time-dependent Hartree (MCTDH) methodWodraszka, Robert / Carrington, Tucker et al. | 2016
-
High resolution spectroscopy of jet cooled phenyl radical: The ν1 and ν2 a1 symmetry C–H stretching modesChang, Chih-Hsuan / Nesbitt, David J. et al. | 2016
-
A DFT study of water adsorption on rutile TiO2 (110) surface: The effects of surface stepsZheng, Ting / Wu, Chunya / Chen, Mingjun / Zhang, Yu / Cummings, Peter T. et al. | 2016
-
A variational approach to the liquid-vapor phase transition for hardcore ions in the bulk and in nanoporesLoubet, Bastien / Manghi, Manoel / Palmeri, John et al. | 2016
-
van der Waals torque and force between dielectrically anisotropic layered mediaLu, Bing-Sui / Podgornik, Rudolf et al. | 2016
-
Erratum: “Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules” [J. Chem. Phys. 141, 124122 (2014)]Nikiforov, Alexander / Gamez, Jose A. / Thiel, Walter / Huix-Rotllant, Miquel / Filatov, Michael et al. | 2016
-
Vibrational effects on surface energies and band gaps in hexagonal and cubic iceEngel, Edgar A. / Monserrat, Bartomeu / Needs, Richard J. et al. | 2016
-
The impacts of surface polarity on the solubility of nanoparticleZhu, Jianzhuo / Ou, Xinwen / Su, Jiguo / Li, Jingyuan et al. | 2016
-
Communication: Contrasting effects of glycerol and DMSO on lipid membrane surface hydration dynamics and forcesSchrader, Alex M. / Cheng, Chi-Yuan / Israelachvili, Jacob N. / Han, Songi et al. | 2016
-
The relative entropy is fundamental to adaptive resolution simulationsKreis, Karsten / Potestio, Raffaello et al. | 2016
-
Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionizationGermann, Matthias / Willitsch, Stefan et al. | 2016
-
In a search for a shape maximizing packing fraction for two-dimensional random sequential adsorptionCieśla, Michał / Paja̧k, Grzegorz / Ziff, Robert M. et al. | 2016
-
Colloids exposed to random potential energy landscapes: From particle number density to particle-potential and particle-particle interactionsBewerunge, Jörg / Sengupta, Ankush / Capellmann, Ronja F. / Platten, Florian / Sengupta, Surajit / Egelhaaf, Stefan U. et al. | 2016
-
Communication: The origin of many-particle signals in nonlinear optical spectroscopy of non-interacting particlesMukamel, Shaul et al. | 2016
-
A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimizationLi, Zhen / Bian, Xin / Yang, Xiu / Karniadakis, George Em et al. | 2016
-
First spectroscopic observation of gold(i) butadiynylide: Photodetachment velocity map imaging of the AuC4H anionVisser, Bradley R. / Addicoat, Matthew A. / Gascooke, Jason R. / Lawrance, Warren D. / Metha, Gregory F. et al. | 2016
-
Calculations of oxide formation on low-index Cu surfacesLian, Xin / Xiao, Penghao / Yang, Sheng-Che / Liu, Renlong / Henkelman, Graeme et al. | 2016
-
Asymptotic neutron scattering laws for anomalously diffusing quantum particlesKneller, Gerald R. et al. | 2016
-
Erratum: “Temperature dependence of contact and dipolar NMR chemical shifts in paramagnetic molecules” [J. Chem. Phys. 142, 054108 (2015)]Martin, Bob / Autschbach, Jochen et al. | 2016
-
Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cationsGermann, Matthias / Willitsch, Stefan et al. | 2016
-
Conformational landscape of an amyloid intra-cellular domain and Landau-Ginzburg-Wilson paradigm in protein dynamicsDai, Jin / Niemi, Antti J. / He, Jianfeng et al. | 2016
-
Direct observation of unimolecular decay of CH3CH2CHOO Criegee intermediates to OH radical productsFang, Yi / Liu, Fang / Klippenstein, Stephen J. / Lester, Marsha I. et al. | 2016
-
Noise-induced multistability in the regulation of cancer by genes and pseudogenesPetrosyan, K. G. / Hu, Chin-Kun et al. | 2016
-
The magnetism and spin-dependent electronic transport properties of boron nitride atomic chainsAn, Yipeng / Zhang, Mengjun / Wu, Dapeng / Fu, Zhaoming / Wang, Tianxing / Jiao, Zhaoyong / Wang, Kun et al. | 2016
-
Note: Activity coefficients and solubilities for the NaCl/ϵ force fieldJiang, Hao / Panagiotopoulos, Athanassios Z. et al. | 2016
-
Erratum: “The electrostatic response of water to neutral polar solutes: Implications for continuum solvent modeling” [J. Chem. Phys. 138, 224504 (2013)]Muddana, Hari S. / Sapra, Neil V. / Fenley, Andrew T. / Gilson, Michael K. et al. | 2016
-
Infrared absorption spectrum of the simplest deuterated Criegee intermediate CD2OOHuang, Yu-Hsuan / Nishimura, Yoshifumi / Witek, Henryk A. / Lee, Yuan-Pern et al. | 2016
-
Excitation-energy dependence of solvation dynamics in room-temperature ionic liquidsKim, Daekeon / Park, Sang-Won / Shim, Youngseon / Kim, Hyung J. / Jung, YounJoon et al. | 2016
-
Postcollision multifragmentation in fullerene-surface impact: Microscopic insights via molecular dynamics simulationsBernstein, Victor / Kolodney, Eli et al. | 2016
-
Mixed cerium-platinum oxides: Electronic structure of [CeO]Ptn (n = 1, 2) and [CeO2]Pt complex anions and neutralsRay, Manisha / Kafader, Jared O. / Topolski, Josey E. / Jarrold, Caroline Chick et al. | 2016
-
On the representability problem and the physical meaning of coarse-grained modelsWagner, Jacob W. / Dama, James F. / Durumeric, Aleksander E. P. / Voth, Gregory A. et al. | 2016
-
Selective detection of singlet gerade metastable states of N2Kedzierski, W. / McConkey, J. W. et al. | 2016
-
Precursor anion states in dissociative electron attachment to chlorophenol isomersKossoski, F. / Varella, M. T. do N. et al. | 2016
-
Effects of the molecule-electrode interface on the low-bias conductance of Cu–H2–Cu single-molecule junctionsJiang, Zhuoling / Wang, Hao / Shen, Ziyong / Sanvito, Stefano / Hou, Shimin et al. | 2016
-
Non-adiabatic dynamics investigation of the radiationless decay mechanism of trans-urocanic acid in the S2 stateZhao, Li / Zhou, Pan-Wang / Zhao, Guang-Jiu et al. | 2016
-
Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementationMao, Yuezhi / Horn, Paul R. / Mardirossian, Narbe / Head-Gordon, Teresa / Skylaris, Chris-Kriton / Head-Gordon, Martin et al. | 2016
-
Nanoindentation of the pristine and irradiated forms of a sodium borosilicate glass: Insights from molecular dynamics simulationsKilymis, D. A. / Delaye, J.-M. / Ispas, S. et al. | 2016
-
What interactions can distort the orientational distribution of interfacial water molecules as probed by second harmonic and sum frequency generation?de Beer, Alex G. F. / Roke, Sylvie et al. | 2016
-
Two structural relaxations in protein hydration water and their dynamic crossoversCamisasca, G. / De Marzio, M. / Corradini, D. / Gallo, P. et al. | 2016
-
The multilevel CC3 coupled cluster modelMyhre, Rolf H. / Koch, Henrik et al. | 2016