Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.121, No.13 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (21 articles)

2545 - 2551	Effects of Second-Metal (Al, V, Co) Doping on the NO Reactivity of Small Rhodium Cluster Cations Hirabayashi S, Ichihashi M
2552 - 2557	Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes Kolb B, Marshall P, Zhao B, Jiang B, Guo H
2558 - 2564	Temperature Dependence in the Terahertz Spectrum of Nicotinamide: Anharmonicity and Hydrogen-Bonded Network Takahashi M, Okamura N, Fan XY, Shirakawa H, Minamide H
2565 - 2571	Visualizing Intramolecular Vibrational Redistribution in Cyclotrimethylene Trinitramine (RDX) Crystals by Multiplex Coherent Anti-Stokes Raman Scattering Yu GY, Zeng YY, Guo WC, Wu HL, Zhu GB, Zheng ZY, Zheng XX, Song YF, Yang YQ
2572 - 2579	Excited-State Decay Paths in Tetraphenylethene Derivatives Gao YJ, Chang XP, Liu XY, Li QS, Cui GL, Thiel W
2580 - 2587	Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase Feraud G, Dornenianni L, Marceca E, Dedonder-Lardeux C, Jouvet C
2588 - 2596	Combining the Advantages of Alkene and Azo E-Z Photoisomerizations: Mechanistic Insights into Ketoimine Photoswitches Su CQ, Li YY, Wang B, Liu MJ, Wang HJ, Wang WL, Liu FY
2597 - 2602	Stability and Vapor Pressure of Aqueous Aggregates and Aerosols Containing a Monovalent Ion Sirkin YAP, Factorovich MH, Molinero V, Scherlis DA
2603 - 2609	Application of the Transpiration Method To Determine the Vapor Pressure and Related Physico-Chemical Data of Low Volatile, Thermolabile, and Toxic Organo(thio)phosphates Althoff MA, Grieger K, Hartel MAC, Karaghiosoff KL, Klapotke TM, Metzulat M
2610 - 2619	Electronic Structures and OH-Induced Atmospheric Degradation of CF3NSF2: A Potential Green Dielectric Replacement for SF6 Cheng L, Yu XJ, Zhao K, Hou H, Wang BS
2620 - 2626	Ab lnitio Studies on the Clathrate Hydrates of Some Nitrogen-and Sulfur-Containing Gases Sun NR, Li ZW, Qiu NX, Yu XH, Zhang XR, Li YJ, Yang LB, Luo K, Huang Q, Du SY
2627 - 2635	Aromaticity of peri- and para-Substituted Naphthalene-1-carbaldehyde. Comparison with 1-Nitronaphthalene Majerz I, Dziembowska T
2636 - 2642	Structural and Electronic Properties of Transition-Metal Oxides Attached to a Single-Walled CNT as a Lithium-Ion Battery Electrode: A First-Principles Study Tack LW, Azam MA, Seman RNAR
2643 - 2654	Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based Calculations Ahlstrand E, Hermansson K, Friedman R
2655 - 2664	Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin Zhang CR, Li XY, Shen YL, Wu YZ, Liu ZJ, Chen HS
2665 - 2673	Theoretical Study of Addition Reactions of L4M(M = Rh, Ir) and L2M(M = Pd, Pt) to Li+@C-60 Yang MC, Sharma AK, Sameera WMC, Morokuma K, Su MD
2674 - 2682	Quantum Mechanical Study of N-Heterocyclic Carbene Adsorption on Au Surfaces Chang K, Chen JGG, Lu Q, Cheng MJ
2683 - 2687	Substituent Correlations Characterized by Hammett Constants in the Spiropyran Merocyanine Transition Brugner O, Reichenbach T, Sommer M, Walter M
2688 - 2697	Computational Study on the Mechanisms of Multiple Complexation of CO and Isonitrile Ligands to Boron Gao XJJ, Gao XF
2698 - 2703	Computational Study of C-13 NMR Chemical Shift Anisotropy Patterns in C20H10 and [C20H10](4-). Insights into Their Variation upon Planarization and Formation of Concentric Aromatic Species in the Smaller Isolated-Pentagon Structural Motif Munoz-Castro A, Caimanque-Aguilar W, Morales-Verdejo C
2704 - 2714	Ammonia Borane Clusters: Energetics of Dihydrogen Bonding, Cooperativity, and the Role of Electrostatics Vijayalakshmi KP, Suresh CH