Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.122, No.4 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (32 articles)

879 - 879	Machine Learning Schneider WF, Guo H
880 - 881	Keiji Morokuma Bowman JM, Musaev J, Nakatsuji H
882 - 889	Session Viewpoints on the 2017 Dynamics of Molecular Collisions Conference Smoll EJ, Poovathingal S, Murray VJ
890 - 896	Gas-Phase Oxidation of the Protonated Uracil-5-yl Radical Cation Bezzina JP, Prendergast MB, Blanksby SJ, Trevitt AJ
897 - 908	Molecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 2: Boxed MD Study of CO plus OH -> CO2 + H Reaction Kinetics Panteleev SV, Masunov AE, Vasu SS
909 - 915	Solvent Modulation of Aromatic Substituent Effects in Molecular Balances Controlled by CH-pi Interactions Emenike BU, Spinelle RA, Rosario A, Shinn DW, Yoo B
916 - 922	Kinetics and Products of the Reaction of OH Radicals with CINO from 220 to 940 K Bedjanian Y
923 - 928	The High-Resolution 4f-5d Absorption Spectrum of Divalent Dysprosium (Dy2+) in Strontium Chloride Host SrCl2: Fine Structure and Zero-Phonon Transitions Revealed Karbowiak M, Rudowicz C, Cichos J
929 - 936	Microhydration of 2-Naphthol at Ground, First Excited Triplet, and First Excited Singlet States: A Case Study on Photo Acids Krishnakumar P, Kar R, Maity DK
937 - 945	Spectroscopic Study of a Photoactive Antibacterial Agent: 2,3-Distyrylindole Rajapaksha RD, Banet M, Champion C, Frolova LV, Rogelj S, Choudhury P, Ranasinghe MI
946 - 954	Rotational Dynamics of Solutes with Multiple Single Bond Axes Studied by Infrared Pump-Probe Spectroscopy Okuda M, Ohta K, Tominaga K
955 - 964	Tailoring Photoisomerization Pathways in Donor-Acceptor Stenhouse Adducts: The Role of the Hydroxy Group Lerch MM, Medved M, Lapini A, Laurent AD, Iagatti A, Bussotti L, Szymanski W, Buma WJ, Foggi P, Di Donato M, Feringa B
965 - 971	Ultrafast Transmission Modulation and Recovery via Vibrational Strong Coupling Dunkelberger AD, Davidson RB, Ahn W, Simpkins BS, Owrutsky JC
972 - 984	Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study Louant O, Champagne B, Liegeois V
985 - 991	Solid Parahydrogen Infrared Matrix Isolation and Computational Studies of Li-n-(C2H4)(m) Complexes Pinelo LF, Klotz ER, Wonderly WR, Paulson LO, Kettwich SC, Kubelka J, Anderson DT
992 - 1003	interactions of Dimethyltin(IV) with Uracil As Studied in the Gas Phase Salpin JY, Latrous L, Haldys V, Lamsabhi A
1004 - 1010	Challenges in XUV Photochemistry Simulations: A Case Study on Ultrafast Fragmentation Dynamics of the Benzene Radical Cation Bazzi S, Welsch R, Vendrell O, Santra R
1011 - 1018	Theoretical Investigation of the Reaction Mechanism of Photodeamination Induced by Excited-State Intramolecular Proton Transfer of Cresol Derivatives Yang YF, Ma YZ, Zhao Y, Zhao YL, Li YQ
1019 - 1026	Theoretical Identification of the Six Stable C-84 Isomers by IR, XPS, and NEXAFS Spectra Ma Y, Wang SY, Hu J, Zhou Y, Song XN, Wang CK
1027 - 1033	Ab Initio Study Predicts That Enigmatic Isonitrosyl Fluoride Should Be Stable at Low Temperatures yet Unnoticeable Due to Its Photoreactivity Syrlybaeva RR, Talipov MR
1034 - 1044	Photochemical Formation of Diazenecarbaldehyde (HNNCHO) and Diazenecarbothialdehyde (HNNCHS) in Low-Temperature Matrices Voros T, Lajgut GG, Magyarfalvi G, Tarczay G
1045 - 1052	Electronic and Nonlinear Optical Properties of L-Histidine on Silver: A Theoretical and Experimental Approach Felscia UR, Rajkumar BJM, Nidya M, Sankar P
1053 - 1063	Reactivity of Hydrogen Peroxide with Br and I Atoms Fortin C, Khanniche S, Khiri D, Fevre-Nollet V, Lebegue P, Cousin F, Cernusak I, Louis F
1064 - 1070	Decomposition Pathways of Titanium Isopropoxide (Ti(OiPr)4): New Insights from UV-Photodissociation Experiments and Quantum Chemical Calculations Ershov KS, Kochubei SA, Kiselev VG, Baklanov AV
1071 - 1076	Structure and Liquid Fragility in Sodium Carbonate Wilson M, Ribeiro MCC, Wilding MC, Benmore C, Weber JKR, Alderman O, Tamalonis A, Parise JB
1077 - 1087	Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes Kraus P, Obenchain DA, Frank I
1088 - 1103	Predicting the Open-Shell Character of Polycyclic Hydrocarbons in Terms of Clar Sextets Trinquier G, Malrieu JP
1104 - 1113	Can Supported Reduced Vanadium Oxides form H-2 from CH3OH? A Computational Gas-Phase Mechanistic Study Gonzalez-Navarrete P, Andres J, Calatayud M
1114 - 1123	Quantum Chemical Study of the Interligand Electron Transfer in Ru Polypyridyl Complexes Alcover-Fortuny G, Wu JF, Caballol R, de Graaf C
1124 - 1137	Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates Calbo J, Arago J, Boto RA, Sanchez-Marin J, Orti E, Contreras-Garcia J
1138 - 1145	Star-Like CBe5Au5+ Cluster: Planar Pentacoordinate Carbon, Superalkali Cation, and Multifold (pi and sigma) Aromaticity Guo JC, Feng LY, Zhang XY, Zhai HJ
1146 - 1155	Shape and Core-Excited Resonances in Thiophene Loupas A, Regeta K, Allan M, Gorfinkiel JD