Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.121, No.6 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (22 articles)

1169 - 1174	Probe Decomposition of Methylammonium Lead Iodide Perovskite in N-2 and O-2 by in Situ Infrared Spectroscopy Yu XZ, Qin Y, Peng Q
1175 - 1181	Reactive Ni/AI Nanocomposites: Structural Characteristics and Activation Energy Shuck CE, Mukasyan AS
1182 - 1188	High Electronic Conductance through Double-Helix DNA Molecules with Fullerene Anchoring Groups Jimenez-Monroy KL, Renaud N, Drijkoningen J, Cortens D, Schouteden K, van Haesendonck C, Guedens WJ, Manca JV, Siebbeles LDA, Grozema FC, Wagner PH
1189 - 1194	Unimolecular Decomposition Mechanism of 1,2-Dioxetanedione: Concerted or Biradical? That is the Question! Farahani P, Baader WJ
1195 - 1212	Quantitative Infrared Absorption Spectra and Vibrational Assignments of Crotonaldehyde and Methyl Vinyl Ketone Using Gas-Phase Mid-Infrared, Far-Infrared, and Liquid Raman Spectra: s-cis vs s-trans Composition Confirmed via Temperature Studies and ab Initio Methods Lindenmaier R, Williams SD, Sams RL, Johnson TJ
1213 - 1222	Substituent Effects on the Absorption and Fluorescence Properties of Anthracene Abou-Hatab S, Spata VA, Matsika S
1223 - 1232	Absence of Intramolecular Charge Transfer with 4-Fluoro-N,N-dimethylaniline (DMA4F), Contrary to an Experimental Report Supported by Computations Zachariasse KA, Demeter A, Druzhinin SI
1233 - 1239	Spectroscopic Characterization of Nonconcerted [4+2] Cycloaddition of 1,3-Butadiene with Lanthanacyclopropene To Form Lanthanum-Benzene in the Gas Phase Hewage D, Cao WJ, Kim JH, Wang Y, Liu Y, Yang DS
1240 - 1249	"Watching" the Dark State in Ultrafast Nonadiabatic Photoisomerization Process of a Light-Driven Molecular Rotary Motor Pang XJ, Cui XY, Hu DP, Jiang CW, Zhao D, Lan ZG, Li FL
1250 - 1260	Combined Molecular Dynamics, Atoms in Molecules, and IR Studies of the Bulk Monofluoroethanol and Bulk Ethanol To Understand the Role of Organic Fluorine in the Hydrogen Bond Network Biswas B, Mondal S, Singh PC
1261 - 1280	Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. I. n-Decane (n-C10H22) Zhao L, Yang T, Kaiser RI, Troy TP, Ahmed M, Belisario-Lara D, Ribeiro JM, Mebel AM
1281 - 1297	Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. II: n-Dodecane (n-C12H26) Zhao L, Yang T, Kaiser RI, Troy TP, Ahmed M, Ribeiro JM, Belisario-Lara D, Mebel AM
1298 - 1309	Aqueous Photochemistry of Secondary Organic Aerosol of alpha-Pinene and alpha-Humulene Oxidized with Ozone, Hydroxyl Radical, and Nitrate Radical Romonosky DE, Li Y, Shiraiwa M, Laskin A, Laskin J, Nizkorodov SA
1310 - 1318	Magneto-Structural Analysis of Iron(III) Keggin Polyoxometalates Bandeira NAG, Sadeghi O, Woods TJ, Zhang YZ, Schnack J, Dunbar K, Nyman M, Bo C
1319 - 1327	Cyanoform and Its Isomers. Relative Stabilities, Spectroscopic Features, and Rearrangements by Coupled Cluster and MCSCF-Based Methods Szczepaniak M, Moc J
1328 - 1335	Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes Peng B, Govind N, Apra E, Klemm M, Hammond JR, Kowalski K
1336 - 1343	Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential Hoerner P, Schlegel HB
1344 - 1350	Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab lnitio Molecular Dynamics Simulations Fischer SA, Apra E, Govind N, Hess WP, El-Khoury PZ
1351 - 1361	Automatic Reaction Pathway Search via Combined Molecular Dynamics and Coordinate Driving Method Yang MY, Zou JX, Wang GQ, Li SH
1362 - 1370	Lone-Pair Hole on P: P center dot center dot center dot N Pnicogen Bonds Assisted by Halogen Bonds Del Bene JE, Alkorta I, Elguero J, Sanchez-Sanz G
1371 - 1380	Molecular Engineering of Tetraphenylbenzidine-Based Hole Transport Material for Perovskite Solar Cell Gapol MAB, Balanay MP, Kim DH
1381 - 1387	Tetrel Bonds in Infinite Molecular Chains by Electronic Structure Theory and Their Role for Crystal Stabilization George J, Dronskowski R