Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.124, No.37 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (28 articles)

7333 - 7339	Photofragmentation Patterns of Cobalt Oxide Cations ConOm+ (n=5-9, m=4-13): From Oxygen-Deficient to Oxygen-Rich Species Mai NT, Ngo ST, Lievens P, Janssens E, Tung NT
7340 - 7345	Observation of Strong J-Aggregate Light Emission in Monolayer Molecular Crystal on Hexagonal Boron Nitride Sun BL, Xu X, Zhou GD, Tao L, Wang XR, Chen ZF, Xu JB
7346 - 7354	Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-phenyl)-4-oxo-but-2-enoate Ester Derivatives Sarkar SK, Ranaweera RAAU, Merugu R, Abdelaziz NM, Robinson J, Day HA, Krause JA, Gudmundsdottir AD
7355 - 7372	Chemical Reaction Rates for Systems with Spin-Orbit Coupling and an Odd Number of Electrons: Does Berry's Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a Two State Crossing? Wu YZ, Miao GH, Subotnik JE
7373 - 7379	Rotational Energy Transfer in Highly Excited States of Lithium Dimer: Experiment and Modeling Fanthorpe J, Gao YX, Stewart B
7380 - 7387	A Shock-Tube Study of the Rate Constant of PH3 + M reversible arrow PH2 + H + M (M = Ar) Using PH3 Laser Absorption Mulvihill CR, Juarez R, Mathieu O, Petersen EL
7388 - 7398	Nonadiabatic Exciton and Charge Separation Dynamics at Interfaces of Zinc Phthalocyanine and Fullerene: Orientation Does Matter Liu XY, Li ZW, Fang WH, Cui GL
7399 - 7410	Atomic Perspective about the Reaction Mechanism and H-2 Production during the Combustion of Al Nanoparticles/H2O2 Bipropellants Li G, Niu LL, Xue XG, Hao WZ, Liu Y, Zhang CY
7411 - 7415	Topology, Distance, and Orbital Symmetry Effects on Electronic Spin-Spin Couplings in Rigid Molecular Systems: Implications for Long-Distance Spin-Spin Interactions Wang RB, Ko CH, Brugh AM, Bai YS, Forbes MDE, Therien MJ
7416 - 7426	Kinetics of the Reactions of Hydroxyl Radicals with Furan and Its Alkylated Derivatives 2-Methyl Furan and 2,5-Dimethyl Furan Whelan CA, Eble J, Mir ZS, Blitz MA, Seakins PW, Olzmann M, Stone D
7427 - 7438	Dissociation of Singly and Multiply Charged Nitromethane Cations: Femtosecond Laser Mass Spectrometry and Theoretical Modeling Gutsev GL, McPherson SL, Pena HAL, Boateng DA, Gutsev LG, Ramachandran BR, Tibbetts KM
7439 - 7452	Evaluation of an Efficient 3D-RISM-SCF Implementation as a Tool for Computational Spectroscopy in Solution Reimann M, Kaupp M
7453 - 7463	Formation and Reaction Kinetics of Biradicals and Triplet States in a Series of Carboxylated 1,4,5,8-Naphthalene Diimides Sova S, Kelly LA
7464 - 7469	Site-Dependent Spin Delocalization and Evidence of Ferrimagnetism in Atomically Precise Au-25(SR)(18)(0) Clusters as Seen by Solution C-13 NMR Spectroscopy Zheng RF, Bevacqua GM, Young NR, Allison TC, Tong YYJ
7470 - 7477	Dipole Moment Propels pi-Stacking of Heterodimers of Fluorophenylacetylenes Kundu A, Sen S, Patwari GN
7478 - 7490	Helix-Coil Transition at a Glycine Following a Nascent alpha-Helix: A Synergetic Guidance Mechanism for Helix Growth Pal S, Banerjee S, Prabhakaran EN
7491 - 7499	VUV Photofragmentation of Chloroiodomethane: The Iso-CH2I-Cl and Iso-CH2CI-l Radical Cation Formation Casavola AR, Cartoni A, Castrovilli MC, Borocci S, Bolognesi P, Chiarinelli J, Catone D, Avaldi L
7500 - 7510	Infrared Spectra of Monohydrogenated Aniline, ortho- and para-HC6H5NH2, Generated in Solid para-Hydrogen Tsuge M, Chen YH, Lee YP
7511 - 7517	Substitution of O with a Single Au Atom as an Electron Acceptor in Al Oxide Clusters Mafune F, Liu XN, Zhang YF, Kudoh S
7518 - 7525	MgC6H2 Isomers: Potential Candidates for Laboratory and Radioastronomical Studies Pandey AP, Padidela UK, Thulasiraman LK, Sethu R, Vairaprakash P, Thimmakondu VS
7526 - 7537	Theoretical Study on Thermally Activated Delayed Fluorescence Emitters in White Organic Light-Emitting Diodes: Emission Mechanism and Molecular Design Li FY, Li MZ, Fan JZ, Song YZ, Wang CK, Lin LL
7538 - 7548	Computation of Dipole Moments: A Recommendation on the Choice of the Basis Set and the Level of Theory Zapata JC, McKemmish LK
7549 - 7558	Analysis of the Proton Transfer Bands in the Infrared Spectra of Linear N2H+center dot center dot center dot OC and N2D+center dot center dot center dot OC Complexes Using Electric Field-Driven Classical Trajectories Boutwell D, Okere O, Omodemi O, Toledo A, Barrios A, Olocha M, Kaledin M
7559 - 7574	Pathways toward PAH Formation during Fatty Acid and Triglyceride Pyrolysis Kozliak E, Sulkes M, Smoliakova IP, Alhroub I, Nespor B, Yao B, Kubatova A
7575 - 7584	Mechanisms of Acid-Promoted N-2 and N2O Generation from NH2NO and NH2NO2 Chen TH, Wan ZY, Trabelsi T, Zhu CQ, Francisco JS
7585 - 7597	Reactive Molecular Dynamics at Constant Pressure via Nonreactive Force Fields: Extending the Empirical Valence Bond Method to the Isothermal-Isobaric Ensemble Scivetti I, Sen K, Elena AM, Todorov I
7598 - 7607	Random Sampling High Dimensional Model Representation Gaussian Process Regression (RS-HDMR-GPR) for Multivariate Function Representation: Application to Molecular Potential Energy Surfaces Boussaidi MA, Ren OW, Voytsekhovsky D, Manzhos S
7608 - 7621	Complete Nuclear Permutation Inversion Invariant Artificial Neural Network (CNPI-ANN) Diabatization for the Accurate Treatment of Vibronic Coupling Problems Williams DMG, Eisfeld W