Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.123, No.46 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (34 articles)

9881 - 9882	Virtual Issue on Astrochemistry: From the Chemical Laboratory to the Stars Weaver SLW, Herbst E
9883 - 9892	Light-Induced Spin Crossover in an Intermediate-Spin Penta-Coordinated Iron(III) Complex Chowdhury SR, Mishra S
9893 - 9904	Pyrolysis of Furan and Its Methylated Derivatives: A Shock-Tube/TOF-MS and Modeling Study Weiser L, Weber I, Olzmann M
9905 - 9918	Modeling Ionic Reactions at Interstellar Temperatures: The Case of NH2- + H-2 double left right arrow NH3 + H- Gianturco FA, Yurtsever E, Satta M, Wester R
9919 - 9933	Nonadiabatic Ultracold Quantum Reactive Scattering of Hydrogen with Vibrationally Excited HD(v=5-9) Kendrick BK
9934 - 9956	Combined Experimental and Theoretical Studies of the O(P-3)+1-Butene Reaction Dynamics: Primary Products, Branching Fractions, and Role of Intersystem Crossing Caracciolo A, Vanuzzo G, Balucani N, Stranges D, Casavecchia P, Maffei LP, Cavallotti C
9957 - 9965	H atom Product Channels in the Ultraviolet Photodissociation of the 2-Propenyl Radical Sun G, Lucas M, Song Y, Zhang JS, Brazier C, Houston PL, Bowman JM
9966 - 9977	Imaging and Modeling the Optical Emission from CH Radicals in Microwave Activated C/H Plasmas Mahoney EJD, Rodriguez BJ, Mushtaq S, Truscott BS, Ashfold MNR, Mankelevich YA
9978 - 9994	Gas Phase Kinetics and Mechanistic Insights for the Reactions of Cl atoms with Isopropyl Formate and Isobutyl Formate Kumar A, Rajakumar B
9995 - 10003	Low Temperature Kinetics of the Reaction Between Methanol and the CN Radical Gupta D, Ely SCS, Cooke IR, Guillaume T, Khedaoui OA, Hearne TS, Hays BM, Sims IR
10004 - 10010	Unexpected Substituent Effects in the Iso-Heterocyclic Boulton-Katritzky Rearrangement of 3-Aroylamino-5-methyl-1,2,4-oxadiazoles: A Mechanistic Study Frenna V, Lo Meo P, Piccionello AP, Spinelli D
10011 - 10018	Quantifying Triplet State Formation in Zinc Dipyrrin Complexes Alqahtani NZ, Blevins TG, McCusker CE
10019 - 10029	Photoinduced Carrier Dynamics at the Interface of Black Phosphorus and Bismuth Vanadate Yang JJ, Liu XY, Fang WH, Xiao DQ, Cui GL
10030 - 10039	Determining a Line Strength in the nu(3) Band of the Silyl Radical Using Quantum Cascade Laser Absorption Spectroscopy Nave AS, Pipa AV, Davies PB, Ropcke J, van Heiden JPH
10040 - 10046	Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C-60) Dimer and Isomers as Test Cases Bremond E, Ciofini I, Sancho-Garcia JC, Adarno C
10047 - 10056	In Situ Formed Ir3Li Nanoparticles as Active Cathode Material in Li-Oxygen Batteries Halder A, Ngo AT, Luo XY, Wang HH, Wen JG, Abbasi P, Asadi M, Zhang CJ, Miller D, Zhang DZ, Lu J, Redfern PC, Lau KC, Amine R, Assary RS, Lee YJ, Salehi-Khojin A, Vajda S, Amine K, Curtiss LA
10057 - 10064	Heterogeneous Clusters of Phthalocyanine and Water Prepared and Probed in Superfluid Helium Nanodroplets Fischer J, Schlaghaufer F, Lottner EM, Slenczka A, Christiansen L, Stapelfeldt H, Karra M, Friedrich B, Mullan T, Schutz M, Usvyat D
10065 - 10071	Electronegativities of Pauling and Mulliken in Density Functional Theory Franco-Perez M, Gazquez JL
10072 - 10078	Intramolecular H-Bond Is Formed in 2-Fluorophenol and 2-Fluorothiophenol, but It May Not Be the Main Pathway of the J(FH) Coupling Constant Transmission Zeoly LA, Coelho F, Cormanich RA
10079 - 10085	Theoretical Study of Alkali-Metal Hydrides at High Pressures: A Case of NaH Supported by Inelastic Neutron Scattering (INS) Experiments at 1 and 2 GPa Pandey A, Zhang JY, Cheng YQ, Daemen L, Ramirez-Cuesta AJ
10086 - 10094	What Types of Noncovalent Bonds Stabilize Dimers (XCP)(2), for X = CN, Cl, F, and H? Del Bene JE, Alkorta I, Elguero J
10095 - 10101	Understanding the Reactivity of Neutral Geminal Group 14 Element/Phosphorus Frustrated Lewis Pairs Cabrera-Trujillo JJ, Fernandez I
10102 - 10108	Computational Study of the Substituent Effects for the Spectroscopic Properties of Thiazolo[5,4-d]thiazole Derivatives Li RR, Yang XZ
10109 - 10115	Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes Jiang SK, Kong XT, Wang C, Zang XY, Su MZ, Zheng HJ, Zhang BB, Li G, Xie H, Yang XM, Liu ZL, Liu ZF, Jiang L
10116 - 10122	CO2 Capture on Functionalized Calixarenes: A Computational Study Hymel JH, Townsend J, Vogiatzis KD
10123 - 10130	Explicit Inclusion of Polarizing Electric Fields in sigma- and pi-Hole Interactions Politzer P, Murray JS, Clark T
10131 - 10138	Electron Attachment to DNA Base Pairs: An Interplay of Dipole- and Valence-Bound States Tripathi D, Dutta AK
10139 - 10151	Electrostatic Topographical Viewpoint of pi-Conjugation and Aromaticity of Hydrocarbons Anjalikrishna PK, Suresh CH, Gadre SR
10152 - 10157	Conformer Specific Ultraviolet and Infrared Detection of Nicotine in the Vapor Phase Robertson PA, Villani L, Robertson EG
10158 - 10168	Investigating Charge Transfer Interactions in AuCe2On Clusters Using Photoionization Efficiency Spectroscopy and Density Functional Theory Hardy RA, Karayilan AM, Metha GF
10169 - 10183	Predicting the Formation of Sulfur-Based Bronsted Acids from the Reactions of SOx with H2O and H2S Lee ZR, Zhang SJ, Flores LA, Dixon DA
10184 - 10189	Robustness of FCS (Fluorescence Correlation Spectroscopy) with Quenchers Present Kandula HN, Jee AY, Granick S
10190 - 10196	Protein Translational Diffusion and Intermolecular Interactions of Globular and Intrinsically Unstructured Proteins Kusova AM, Sitnitsky AE, Faizullin DA, Zuev YF
10197 - 10203	Absolute Method to Certify Quantum Yields of Photon Upconversion via Triplet-Triplet Annihilation Yanai N, Suzuki K, Ogawa T, Sasaki Y, Harada N, Kimizuka N