Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.114, No.36 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

9589 - 9590	Tribute to the Research and Professional Career of Reinhard Schinke Hase WL, Troe J
9591 - 9591	Autobiography of Reinhard Schinke Schinke R
9606 - 9616	Stacking and Spreading Interaction in N-Heteroaromatic Systems Mishra BK, Arey JS, Sathyamurthy N
9617 - 9622	Full-Dimensional Quantum Reaction Rate Calculations for H + CH4 -> H-2 + CH3 on a Recent Potential Energy Surface Schiffel G, Manthe U, Nyman G
9623 - 9627	Quantum Tunneling of Hydrogen Atom in Dissociation of Photoexcited Methylamine Marom R, Levi C, Weiss T, Rosenwaks S, Zeiri Y, Kosloff R, Bar I
9628 - 9634	Observation of a Trapping Transition in the Diffusion of a Thick Needle through Fixed Point Scatterers Tucker AK, Hernandez R
9635 - 9643	Electronic Structure Theory Study of the F- + CH3I -> FCH3 + I-Potential Energy Surface Zhang JX, Hase WL
9644 - 9654	Accurate Potential Energy Surface for the 1(2)A' State of NH2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set Limit Li YQ, Varandas AJC
9655 - 9661	Non-Born-Oppenheimer State-to-State Dynamics of the N(D-2) + H-2 -> NH((X)over-tilde(3)Sigma(-)) + H Reaction: Influence of the Renner-Teller Coupling Lin SY, Guo H, Jiang B, Zhou SL, Xie DQ
9662 - 9672	Comparison of Kinetic and Dynamical Models of DNA-Protein Interaction and Facilitated Diffusion Florescu AM, Joyeux M
9673 - 9680	Argon Solid Response upon Rydberg Photoexcitation of the NO Chromosphore: Case of Using ab Initio Potential Energy Surfaces and Comparison to Similar Studied Systems Castro-Palacio JC, Ishii K, Ayala-Mato F, Rubayo-Soneira J, Yamashita K
9681 - 9692	Dynamics of Two-Color Two-Photon Excited Fluorescence of p-Terphenyl: Determination and Analysis of the Molecular Parameters Denicke S, Gericke KH, Smolin AG, Shternin PS, Vasyutinskii OS
9693 - 9699	Demixing and Cleaning of Wave Functions by Projection, Application to the Assignment of Molecular Vibrations Jung C
9700 - 9708	Isotopomer Fractionation in the UV Photolysis of N2O: 3. 3D Ab Initio Surfaces and Anharmonic Effects Chen WC, Nanbu S, Marcus RA
9709 - 9719	Isotope Evidence for Ozone Formation on Surfaces Janssen C, Tuzson B
9720 - 9724	Role of Water Complexes in the Reaction of Propionaldehyde with OH Radicals Vohringer-Martinez E, Tellbach E, Liessmann M, Abel B
9725 - 9732	HCHO in a Cold, Quantum Solvent: Size and Shape of Its "Bubbles" in He-4 Droplets from Stochastic Simulations Marinetti F, Yurtsever E, Gianturco FA
9733 - 9742	Nonadiabatic State-to-State Reactive Collisions among Open Shell Reactants with Conical Intersections: The OH((2)Pi) + F(P-2) Example Zanchet A, Gonzalez-Lezana T, Aguado A, Gomez-Carrasco S, Roncero O
9743 - 9748	Dissipative Wave Packet Dynamics of Hydrophobic -> Hydrophilic Site Switching in Phenol-Ar Clusters Walter C, Kritzer R, Schubert A, Meier C, Dopfer O, Engel V
9749 - 9754	Renner-Teller Quantum Dynamics of NH(a(1)Delta) + H Reactions on the NH2 (A)over-cap(2)A(1) and (X)over-tilde(2)B(1) Coupled Surfaces Defazio P, Gamallo P, Gonzalez M, Petrongolo C
9755 - 9761	Infrared Spectroscopy and Binding Geometries of Oxygen Atoms Bound to Cationic Tantalum Clusters Fielicke A, Gruene P, Haertelt M, Harding DJ, Meijer G
9762 - 9767	Mutual Capture of Dipolar Molecules at Low and Very Low Energies. I. Approximate Analytical Treatment Nikitin EE, Troe J
9768 - 9773	Unambiguous Assignment of Vibrational Spectra of Cyclosporins A and H Qu ZW, Zhu H, May V
9774 - 9781	Imaging the State-Specific Vibrational Predissociation of the Hydrogen Chloride-Water Hydrogen-Bonded Dimer Casterline BE, Mollner AK, Ch'ng LC, Reisler H
9782 - 9787	Explicitly Correlated Coupled Cluster Calculations for Propadienylidene (H2CCC) Botschwina P, Oswald R
9788 - 9794	The Influence of Vibrational Excitation on the Photoisomerization of trans-Stilbene in Solution Briney KA, Herman L, Boucher DS, Dunkelberger AD, Crim FF
9795 - 9808	Isotope Effects of Reactions in Quantum Solids Initiated by IR + UV Lasers: Quantum Model Simulations for Cl(P-2(3/2)) + X-2(v) -> XCl + X in X-2 matrices (X = H, D) Korolkov MV, Manz J, Schild A
9809 - 9819	Ab Initio Quantum Mechanical Study of the O(D-1) Formation in the Photolysis of Ozone between 300 and 330 nm Grebenshchikov SY, Rosenwaks S
9820 - 9824	The Ground State Estimation by Global Optimization of an Effective Potential. Application to Binary para-H-2/ortho-D-2 Molecular Clusters Deckman J, Mandelshtam VA
9825 - 9831	Bifurcation Phase Diagram for C2H2 Bending Dynamics Has a Tetracritical Point with Spectral Patterns Tyng V, Kellman ME
9832 - 9835	A Diffusion Monte Carlo Study of the O-H Bond Dissociation of Phenol Wang JH, Domin D, Austin B, Zubarev DY, McClean J, Frenklach M, Cui TA, Lester WA
9836 - 9847	A Periodic Orbit Bifurcation Analysis of Vibrationally Excited Isotopologues of Sulfur Dioxide and Water Molecules: Symmetry Breaking Substitutions Mauguiere F, Rey M, Tyuterev V, Suarez J, Farantos SC
9848 - 9854	Fine-Tuning Molecular Energy Levels by Nonresonant Laser Pulses Lemeshko M, Friedrich B
9855 - 9863	Absorption Cross Section of Ozone Isotopologues Calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) Method: I. The Hartley and Huggins Bands Ndengue SA, Gatti F, Schinke R, Meyer HD, Jost R
9864 - 9874	Quantum Chemistry of C3H6O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing Mechanisms Elango M, Maciel GS, Palazzetti F, Lombardi A, Aquilanti V
9875 - 9885	Rovibrational Energy Transfer in Ne-Li-2(A(1)Sigma(+)(u), v=0): Comparison of Experimental Data and Results from Classical and Quantum Calculations Stewart BA, Stephens TN, Lawrence BA, McBane GC
9886 - 9892	Imaging the Inelastic Scattering of Water with Helium. Comparison of Experiment and Theory Yang CH, Sarma G, ter Meulen JJ, Parker DH, Buck U, Wiesenfeld L
9893 - 9901	Nonadiabatic Nuclear Dynamics after Valence Ionization of H2O Eroms M, Jungen M, Meyer HD
9902 - 9918	Ion Pair Formation in Multiphoton Excitation of NO2 Using Linearly and Circularly Polarized Femtosecond Light Pulses: Kinetic Energy Distribution and Fragment Recoil Anisotropy Elkharrat C, Picard YJ, Billaud P, Cornaggia C, Garzella D, Perdrix M, Houver JC, Lucchese RR, Dowek D
9919 - 9926	Spectroscopic and Computational Studies of the Laser Photolysis of Matrix Isolated 1,2-Dibromoethanes: Formation and Fate of the Bromoethyl Radicals Kalume A, George L, El-Khoury PZ, Tarnovsky AN, Reid SA
9927 - 9935	Toward an Improved Ground State Potential Energy Surface of Ozone Holka F, Szalay PG, Muller T, Tyuterev VG
9936 - 9947	Quantum Dynamics of a Hydrogen Molecule Inside an Anisotropic Open-Cage Fullerene: Coupled Translation-Rotation Eigenstates and Comparison with Inelastic Neutron Scattering Spectroscopy Ye SF, Xu MZ, Bacic Z, Lawler R, Turro NJ
9948 - 9962	Photolysis of tert-Butylthionitrite via Excitation to the S-1 and S-2 States Studied by 3d-REMPI Spectroscopy Schmaunz A, Kensy U, Slenczka A, Dick B
9963 - 9968	Contribution of the Radical-Complex Mechanism to the Rate of the Reaction CH3 + O-2 (+ M) -> CH3O2 (+ M) at High Pressures Fernandes RX, Luther K, Troe J