Absorption Cross Section of Ozone Isotopologues Calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) Method: I. The Hartley and Huggins Bands (English)
- New search for: Ndengue, S.A.
- New search for: Gatti, F.
- New search for: Schinke, R.
- New search for: Meyer, H.-D.
- New search for: Jost, R.
- New search for: Ndengue, S.A.
- New search for: Gatti, F.
- New search for: Schinke, R.
- New search for: Meyer, H.-D.
- New search for: Jost, R.
In:
JOURNAL OF PHYSICAL CHEMISTRY A
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114
, 36
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9855-9863
;
2010
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ISSN:
- Article (Journal) / Print
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Title:Absorption Cross Section of Ozone Isotopologues Calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) Method: I. The Hartley and Huggins Bands
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Contributors:Ndengue, S.A. ( author ) / Gatti, F. ( author ) / Schinke, R. ( author ) / Meyer, H.-D. ( author ) / Jost, R. ( author )
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Published in:JOURNAL OF PHYSICAL CHEMISTRY A ; 114, 36 ; 9855-9863
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Publisher:
- New search for: AMERICAN CHEMICAL SOCIETY
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Publication date:2010-01-01
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Size:9 pages
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ISSN:
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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: 541 / 540
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Table of contents – Volume 114, Issue 36
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.
- 9589
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Tribute to the Research and Professional Career of Reinhard Schinke| 2010
- 9591
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Autobiography of Reinhard SchinkeSchinke, Reinhard et al. | 2010
- 9595
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Colleagues of Reinhard Schinke| 2010
- 9596
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Publications of Reinhard Schinke| 2010
- 9606
-
Stacking and Spreading Interaction in N-Heteroaromatic SystemsMishra, Brijesh Kumar / Arey, J. Samuel / Sathyamurthy, N. et al. | 2010
- 9617
-
Full-Dimensional Quantum Reaction Rate Calculations for H + CH4 → H2 + CH3 on a Recent Potential Energy SurfaceSchiffel, Gerd / Manthe, Uwe / Nyman, Gunnar et al. | 2010
- 9623
-
Quantum Tunneling of Hydrogen Atom in Dissociation of Photoexcited MethylamineMarom, Ran / Levi, Chen / Weiss, Tal / Rosenwaks, Salman / Zeiri, Yehuda / Kosloff, Ronnie / Bar, Ilana et al. | 2010
- 9628
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Observation of a Trapping Transition in the Diffusion of a Thick Needle through Fixed Point ScatterersTucker, Ashley K. / Hernandez, Rigoberto et al. | 2010
- 9635
-
Electronic Structure Theory Study of the F− + CH3I → FCH3 + I− Potential Energy SurfaceZhang, Jiaxu / Hase, William L. et al. | 2010
- 9635
-
Electronic Structure Theory Study of the F^- + CH~3l → FCH~3 + I^- Potential Energy SurfaceZhang, J. / Hase, W.L. et al. | 2010
- 9644
-
Accurate Potential Energy Surface for the I^2A' State of NH~2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set LimitLi, Y.Q. / Varandas, A.J.C. et al. | 2010
- 9644
-
Accurate Potential Energy Surface for the 12A′ State of NH2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set LimitLi, Y. Q. / Varandas, A. J. C. et al. | 2010
- 9655
-
Non-Born−Oppenheimer State-to-State Dynamics of the N(2D) + H2 → NH(X̃3Σ−) + H Reaction: Influence of the Renner−Teller CouplingLin, Shi Ying / Guo, Hua / Jiang, Bin / Zhou, Shulan / Xie, Daiqian et al. | 2010
- 9655
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Non-Born-Oppenheimer State-to-State Dynamics of the N(^2D) + H~2 → NH(X^3 Sigma ^-) + H Reaction: Influence of the Renner-Teller CouplingLin, S.Y. / Guo, H. / Jiang, B. / Zhou, S. / Xie, D. et al. | 2010
- 9662
-
Comparison of Kinetic and Dynamical Models of DNA−Protein Interaction and Facilitated DiffusionFlorescu, Ana-Maria / Joyeux, Marc et al. | 2010
- 9673
-
Argon Solid Response upon Rydberg Photoexcitation of the NO Chromosphore: Case of Using ab Initio Potential Energy Surfaces and Comparison to Similar Studied SystemsCastro-Palacio, Juan Carlos / Ishii, Keisaku / Ayala-Mató, Fernando / Rubayo-Soneira, Jesús / Yamashita, Koichi et al. | 2010
- 9681
-
Dynamics of Two-Color Two-Photon Excited Fluorescence of p-Terphenyl: Determination and Analysis of the Molecular ParametersDenicke, S. / Gericke, K.-H. / Smolin, A. G. / Shternin, P. S. / Vasyutinskii, O. S. et al. | 2010
- 9693
-
Demixing and Cleaning of Wave Functions by Projection, Application to the Assignment of Molecular VibrationsJung, Christof et al. | 2010
- 9700
-
Isotopomer Fractionation in the UV Photolysis of N2O: 3. 3D Ab Initio Surfaces and Anharmonic EffectsChen, Wei-Chen / Nanbu, Shinkoh / Marcus, R. A. et al. | 2010
- 9709
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Isotope Evidence for Ozone Formation on SurfacesJanssen, Christof / Tuzson, Béla et al. | 2010
- 9720
-
Role of Water Complexes in the Reaction of Propionaldehyde with OH RadicalsVöhringer-Martinez, E. / Tellbach, E. / Liessmann, M. / Abel, B. et al. | 2010
- 9725
-
HCHO in a Cold, Quantum Solvent: Size and Shape of Its “Bubbles” in 4He Droplets from Stochastic SimulationsMarinetti, F. / Yurtsever, E. / Gianturco, F. A. et al. | 2010
- 9733
-
Nonadiabatic State-to-State Reactive Collisions among Open Shell Reactants with Conical Intersections: The OH(^2 Pi ) + F(^2P) ExampleZanchet, A. / Gonzalez-Lezana, T. / Aguado, A. / Gomez-Carrasco, S. / Roncero, O. et al. | 2010
- 9733
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Nonadiabatic State-to-State Reactive Collisions among Open Shell Reactants with Conical Intersections: The OH(2Π) + F(2P) ExampleZanchet, Alexandre / González-Lezana, Tomás / Aguado, Alfredo / Gómez-Carrasco, Susana / Roncero, Octavio et al. | 2010
- 9743
-
Dissipative Wave Packet Dynamics of Hydrophobic → Hydrophilic Site Switching in Phenol-Ar ClustersWalter, Ch. / Kritzer, R. / Schubert, A. / Meier, C. / Dopfer, O. / Engel, V. et al. | 2010
- 9749
-
Renner-Teller Quantum Dynamics of NH(a1Δ) + H Reactions on the NH2 Ã2A1 and X̃2B1 Coupled SurfacesDefazio, P. / Gamallo, P. / González, M. / Petrongolo, C. et al. | 2010
- 9749
-
Renner-Teller Quantum Dynamics of NH(a^1 Delta ) + H Reactions on the NH~2 A^2A~1 and X^2B~1 Coupled SurfacesDefazio, P. / Gamallo, P. / Gonzalez, M. / Petrongolo, C. et al. | 2010
- 9755
-
Infrared Spectroscopy and Binding Geometries of Oxygen Atoms Bound to Cationic Tantalum ClustersFielicke, André / Gruene, Philipp / Haertelt, Marko / Harding, Dan J. / Meijer, Gerard et al. | 2010
- 9762
-
Mutual Capture of Dipolar Molecules at Low and Very Low Energies. I. Approximate Analytical TreatmentNikitin, E. E. / Troe, J. et al. | 2010
- 9762
-
Mutual Capture of Dipolar Molecules at Low and Very Low Energies. 1. Approximate Analytical TreatmentNikitin, E.E. / Troe, J. et al. | 2010
- 9768
-
Unambiguous Assignment of Vibrational Spectra of Cyclosporins A and HQu, Zheng-wang / Zhu, Hui / May, Volkhard et al. | 2010
- 9774
-
Imaging the State-Specific Vibrational Predissociation of the Hydrogen Chloride−Water Hydrogen-Bonded DimerCasterline, Blithe E. / Mollner, Andrew K. / Ch’ng, Lee C. / Reisler, Hanna et al. | 2010
- 9782
-
Explicitly Correlated Coupled Cluster Calculations for Propadienylidene (H2CCC)Botschwina, Peter / Oswald, Rainer et al. | 2010
- 9788
-
The Influence of Vibrational Excitation on the Photoisomerization of trans-Stilbene in SolutionBriney, Kristin A. / Herman, Leslie / Boucher, David S. / Dunkelberger, Adam D. / Crim, F. Fleming et al. | 2010
- 9795
-
Isotope Effects of Reactions in Quantum Solids Initiated by IR + UV Lasers: Quantum Model Simulations for Cl(2P3/2) + X2(ν) → XCl + X in X2 matrices (X = H, D)Korolkov, M. V. / Manz, J. / Schild, A. et al. | 2010
- 9795
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Isotope Effects of Reactions in Quantum Solids Initiated by IR + UV Lasers: Quantum Model Simulations for Cl(^2P~3~n) + X~2( nu ) → XCl + X in X~2 matrices (X = H, D)Korolkov, M.V. / Manz, J. / Schild, A. et al. | 2010
- 9809
-
Ab Initio Quantum Mechanical Study of the O(1D) Formation in the Photolysis of Ozone between 300 and 330 nmGrebenshchikov, Sergy Yu. / Rosenwaks, Salman et al. | 2010
- 9820
-
The Ground State Estimation by Global Optimization of an Effective Potential. Application to Binary p a r a-H2/o r t h o-D2 Molecular ClustersDeckman, Jason / Mandelshtam, Vladimir A. et al. | 2010
- 9825
-
Bifurcation Phase Diagram for C2H2 Bending Dynamics Has a Tetracritical Point with Spectral PatternsTyng, Vivian / Kellman, Michael E. et al. | 2010
- 9832
-
A Diffusion Monte Carlo Study of the O−H Bond Dissociation of PhenolWang, Jinhua / Domin, Dominik / Austin, Brian / Zubarev, Dmitry Yu / McClean, Jarrod / Frenklach, Michael / Cui, Tian / Lester, William A. et al. | 2010
- 9836
-
A Periodic Orbit Bifurcation Analysis of Vibrationally Excited Isotopologues of Sulfur Dioxide and Water Molecules: Symmetry Breaking SubstitutionsMauguiere, Frederic / Rey, Michael / Tyuterev, Vladimir / Suarez, Jaime / Farantos, Stavros C. et al. | 2010
- 9848
-
Fine-Tuning Molecular Energy Levels by Nonresonant Laser PulsesLemeshko, Mikhail / Friedrich, Bretislav et al. | 2010
- 9855
-
Absorption Cross Section of Ozone Isotopologues Calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) Method: I. The Hartley and Huggins BandsNdengué, Steve Alexandre / Gatti, Fabien / Schinke, Reinhard / Meyer, Hans-Dieter / Jost, Rémy et al. | 2010
- 9864
-
Quantum Chemistry of C3H6O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing MechanismsElango, Munusamy / Maciel, Glauciete S. / Palazzetti, Federico / Lombardi, Andrea / Aquilanti, Vincenzo et al. | 2010
- 9875
-
Rovibrational Energy Transfer in Ne−Li2(A1Σu +,v=0): Comparison of Experimental Data and Results from Classical and Quantum CalculationsStewart, Brian A. / Stephens, Troy N. / Lawrence, Barbara A. / McBane, George C. et al. | 2010
- 9875
-
Rovibrational Energy Transfer in Ne-Li~2(A^1 Sigma ~u^+~1 nu =0): Comparison of Experimental Data and Results from Classical and Quantum CalculationsStewart, B.A. / Stephens, T.N. / Lawrence, B.A. / McBane, G.C. et al. | 2010
- 9886
-
Imaging the Inelastic Scattering of Water with Helium. Comparison of Experiment and TheoryYang, Chung-Hsin / Sarma, Gautam / ter Meulen, J. J. / Parker, David H. / Buck, Udo / Wiesenfeld, Laurent et al. | 2010
- 9893
-
Nonadiabatic Nuclear Dynamics after Valence Ionization of H2OEroms, Matthis / Jungen, Martin / Meyer, Hans-Dieter et al. | 2010
- 9902
-
Ion Pair Formation in Multiphoton Excitation of NO2 Using Linearly and Circularly Polarized Femtosecond Light Pulses: Kinetic Energy Distribution and Fragment Recoil AnisotropyElkharrat, C. / Picard, Y. J. / Billaud, P. / Cornaggia, C. / Garzella, D. / Perdrix, M. / Houver, J. C. / Lucchese, R. R. / Dowek, D. et al. | 2010
- 9919
-
Spectroscopic and Computational Studies of the Laser Photolysis of Matrix Isolated 1,2-Dibromoethanes: Formation and Fate of the Bromoethyl RadicalsKalume, A. / George, L. / El-Khoury, P. Z. / Tarnovsky, A. N. / Reid, S. A. et al. | 2010
- 9927
-
Toward an Improved Ground State Potential Energy Surface of OzoneHolka, Filip / Szalay, Péter G. / Müller, Thomas / Tyuterev, Vladimir G. et al. | 2010
- 9936
-
Quantum Dynamics of a Hydrogen Molecule Inside an Anisotropic Open-Cage Fullerene: Coupled Translation-Rotation Eigenstates and Comparison with Inelastic Neutron Scattering SpectroscopyYe, Shufeng / Xu, Minzhong / Bačić, Zlatko / Lawler, Ronald / Turro, Nicholas J. et al. | 2010
- 9948
-
Photolysis of tert-Butylthionitrite via Excitation to the S1 and S2 States Studied by 3d-REMPI SpectroscopySchmaunz, Andreas / Kensy, Uwe / Slenczka, Alkwin / Dick, Bernhard et al. | 2010
- 9963
-
Contribution of the Radical-Complex Mechanism to the Rate of the Reaction CH3 + O2 (+ M) → CH3O2 (+ M) at High PressuresFernandes, Ravi X. / Luther, Klaus / Troe, Jürgen et al. | 2010