Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.122, No.6 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (30 articles)

1511 - 1520	Full-Dimensional Quantum Dynamics of SiO in Collision with H-2 Yang BH, Zhang P, Qu C, Wang XH, Stancil PC, Bowman JM, Balakrishnan N, McLaughlin BM, Forrey RC
1521 - 1530	Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface Liu Y, Huang Y, Ma JY, Li J
1531 - 1541	A Simple "Boxed Molecular Kinetics" Approach To Accelerate Rare Events in the Stochastic Kinetic Master Equation Shannon R, Glowacki DR
1542 - 1549	Microwave Spectra, Structure, and the Aromatic Character of 1-Chloroborepin Pejlovas AM, Zhou ZW, Ashe AJ, Kukolich SG
1550 - 1559	Unusually Short-Lived Solvent-Dependent Excited State in a Half Sandwich Ru(II) Complex Induced by Low-Lying (MC)-M-3 States Schneider KRA, Traber P, Reichardt C, Weiss H, Kupfer S, Gorls H, Grafe S, Weigand W, Dietzek B
1560 - 1573	Methylammonium Cation Dynamics in Methylammonium Lead Halide Perovskites: A Solid-State NMR Perspective Bernard GM, Wasylishen RE, Ratcliffe CI, Terskikh V, Wu QC, Buriak JM, Hauger T
1574 - 1583	Direct and Sequential Two-Photon Double Ionization of Two-Electron Quantum Dots Bachau H, Nikolopoulos LAA
1584 - 1591	Effects of Plume Hydrodynamics and Oxidation on the Composition of a Condensing Laser-Induced Plasma Weisz DG, Crowhurst JC, Finko MS, Rose TP, Koroglu B, Trappitsch R, Radousky HB, Siekhaus WJ, Armstrong MR, Isselhardt BH, Azer M, Curreli D
1592 - 1599	Influence of Solvent Swelling on Ultrafast Structural Dynamics in Polydimethylsiloxane Thin Films by Two-Dimensional IR Spectroscopy Olson CM, Massari AM
1600 - 1611	Gas-Phase Oxidation of Allyl Acetate by O-3, OH, CI, and NO3: Reaction Kinetics and Mechanism Wang SY, Du L, Zhu JQ, Tsona NT, Liu SJ, Wang YF, Ge MF, Wang WX
1612 - 1622	Effect of Mixing Ammonia and Alkylamines on Sulfate Aerosol Formation Temelso B, Morrison EF, Speer DL, Cao BC, Appiah-Padi N, Kim G, Shields GC
1623 - 1633	Salt Cluster Attachment to Crown Ether Decorated Phthalocyanines in the Gas Phase Kellner ID, Hahn U, Torres T, Drewello T
1634 - 1642	Size-Induced Segregation in the Stepwise Microhydration of Hydantoin and Its Role in Proton-Induced Charge Transfer Calvo F, Bacchus-Montabonel MC
1643 - 1657	Quantum-Chemical Modeling of the First Steps of the Strecker Synthesis: From the Gas-Phase to Water Solvation Riffet V, Frison G, Bouchoux G
1658 - 1671	Density Functional Theory Study on the Demethylation Reaction between Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a Fe(IV)-Oxo Porphyrin Complex Alberro N, Torrent-Sucarrat M, Arrieta A, Rubiales G, Cossio FP
1672 - 1677	Combination Rules for Morse-Based van der Waals Force Fields Yang L, Sun L, Deng WQ
1678 - 1690	Evaluation of the Giant Ferromagnetic pi-d Interaction in Iron-Phthalocyanine Molecule Sanchez-de-Armas R, Calzado CJ
1691 - 1701	Nitroxoline Molecule: Planar or Not? A Story of Battle between pi-pi Conjugation and Interatomic Repulsion Tikhonov DS, Sharapa DI, Otlyotov AA, Solyankin PM, Rykov AN, Shkurinov AP, Grikina OE, Khaikin LS
1702 - 1712	Reactivity of Metal Carbenes with Olefins: Theoretical Insights on the Carbene Electronic Structure and Cyclopropanation Reaction Mechanism Sa ED, Rimola A, Rodriguez-Santiago L, Sodupe M, Solans-Monfort X
1713 - 1726	Conformational Impact on Amino Acid-Surface pi-pi Interactions on a (7,7) Single-Walled Carbon Nanotube: A Molecular Mechanics Approach Grabill L, Riemann A
1727 - 1740	Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals Jasper AW, Gruey ZB, Harding LB, Georgievskii Y, Klippenstein SJ, Wagner AF
1741 - 1746	Effect of Hydrogen Bonding and Partial Deprotonation on the Oxidation of Peptides Chan B, Easton CJ, Radom L
1747 - 1755	Modeling the Reactions Catalyzed by Coenzyme B-12 Dependent Enzymes: Accuracy and Cost-Quality Balance Wick CR, Smith DM
1756 - 1763	ENDOR-Induced EPR of Disordered Systems: Application to X-Irradiated Alanine Kusakovskij J, Maes K, Callens F, Vrielinck H
1764 - 1770	Electronic Interactions in Iminophosphorane Superbase Complexes with Carbon Dioxide Ingrosso F, Ruiz-Lopez MF
1771 - 1780	Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters Hirvonen V, Myllys N, Kurten T, Elm J
1781 - 1795	Pair Interaction Energy Decomposition Analysis for Density Functional Theory and Density-Functional Tight-Binding with an Evaluation of Energy Fluctuations in Molecular Dynamics Fedorov DG, Kitaura K
1796 - 1806	Role of Reaction Conditions in the Global and Local Two Parabolas Charge Transfer Model Orozco-Valencia U, Gazquez JL, Vela A
1807 - 1812	Accurate Thermochemistry for Organic Cations via Error Cancellation using Connectivity-Based Hierarchy Collins EM, Sengupta A, AbuSalim DI, Raghavachari K
1813 - 1820	Nature of Intramolecular Resonance Assisted Hydrogen Bonding in Malonaldehyde and Its Saturated Analogue Grosch AA, van der Lubbe SCC, Guerra CF