Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.122, No.8 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (40 articles)

1925 - 1925	Virtual Issue Highlighting Articles That Describe New Methodologies Soon To Be Considered for Publication in JPC McCoy AB, Zanni MT
1926 - 1937	Conflict in the Mechanism and Kinetics of the Barrierless Reaction between SH and NO2 Radicals Kaur R, Vikas
1938 - 1947	DFT Investigation of the Diastereoselectivity of the MX2 and MX3 Lewis-Acid-Catalyzed Mukaiyama Aldol Reaction between C,O,O-Tris(trimethy lsilyl)ketene Acetal and Aldehydes Mohamed SH, Champagne B, Trabelsi M
1948 - 1953	Direct Detection of S(P-3) and S(D-1) Generated in the O(D-1) + OCS Reaction: Mechanism of the Formation of S-2(X-3 Sigma(-)(g) and a(1)Delta(g)) Tanimoto H, Tendo S, Orimi K, Goto H, Kohguchi H, Yamasaki K
1954 - 1959	Theoretical Investigation of the Reactivity of Sodium Dicyanamide with Nitric Acid Vogelhuber KM, Booth RS, Annesley CJ
1960 - 1966	Theoretical and Experimental Insights into the Dissociation of 2-Hydroxyethylhydrazinium Nitrate Clusters Formed via Electrospray Patrick AL, Vogelhuber KM, Prince BD, Annesley CJ
1967 - 1971	Distinguishing the Dynamic Fingerprints of Two- and Three-Dimensional Chemical Waves in Microbeads Kuze M, Kitahata H, Steinbock O, Nakata S
1972 - 1985	Collision Frequency for Energy Transfer in Unimolecular Reactions Matsugi A
1986 - 1993	Origins of Photodamage in Pheomelanin Constituents: Photochemistry of 4-Hydroxybenzothiazole Karsili TNV, Marchetti B, Matsika S
1994 - 2029	How Inert, Perturbing, or Interacting Are Cryogenic Matrices? A Combined Spectroscopic (Infrared, Electronic, and X-ray Absorption) and DFT Investigation of Matrix-Isolated Iron, Cobalt, Nickel, and Zinc Dibromides Wilkin OM, Harris N, Rooms JF, Dixon EL, Bridgeman AJ, Young NA
2030 - 2038	Structural and Spectral Features of 4 '-Substituted 2 '-Hydroxychalcones in Solutions and Crystals: Spectroscopic and Theoretical Investigations Serdiuk IE, Wera M, Roshal AD
2039 - 2045	Vibrational Spectroscopy on Photoexcited Dye-Sensitized Films via Pump-Degenerate Four-Wave Mixing Abraham B, Fan H, Galoppini E, Gundlach L
2046 - 2059	Multiple Hydrogen Bond Tethers for Grazing Formic Acid in Its Complexes with Phenylacetylene Karir G, Kumar G, Kar BP, Viswanathan KS
2060 - 2068	Fourier Transform Microwave Spectroscopic and ab Initio Study of the Rotamers of 2-Fluorobenzaldehyde and 3-Fluorobenzaldehyde Sun WH, Lozada IB, van Wijngaarden J
2069 - 2078	Near-UV Water Splitting by Cu, Ni, and Co Complexes in the Gas Phase Dang A, Shaffer CJ, Bim D, Lawler J, Lesslie M, Ryzhov V, Turecek F
2079 - 2085	Electronic Structure of Biotin Conformers Studied with SAC-CI and OVGF Methods Abyar F, Novak I
2086 - 2095	Large Davydov Splitting and Strong Fluorescence Suppression: An Investigation of Exciton Delocalization in DNA-Templated Holliday Junction Dye Aggregates Cannon BL, Patten LK, Kellis DL, Davis PH, Lee J, Graugnard E, Yurke B, Knowlton WB
2096 - 2107	Infrared Population Transfer Spectroscopy of Cryo-Cooled Ions: Quantitative Tests of the Effects of Collisional Cooling on the Room Temperature Conformer Populations Harrilal CP, DeBlase AF, Fischer JL, Lawler JT, McLuckey SA, Zwier TS
2108 - 2115	Equivalence between the Classical and Quantum IR Spectral Density Approaches of Weak H-Bonds in the Absence of Damping Rekik N, Suleiman J, Blaise P, Wojcik MJ
2116 - 2128	Systematic Characterization of Gas Phase Binary Pre-Nucleation Complexes Containing H2SO4 + X, [X = NH3, (CH3)NH2, (CH3)(2)NH, (CH3)(3)N, H2O, (CH3)OH, (CH3)(2)O, HF, CH3F, PH3, (CH3)PH2, (CH3)(2)PH, (CH3)(3)P, H2S, (CH3)SH, (CH3)(2)S, HCI, (CH3)CI)]. A Computational Study Sebastianelli P, Cometto PM, Pereyra RG
2129 - 2134	Structural Rearrangement of Energetic Materials under an External Electric Field: A Case Study of Nitromethane Liu YZ, Ma YD, Yu T, Lai WP, Guo WJ, Ge ZX, Ma ZN
2135 - 2143	Atmospheric Reaction of CI with 4-Hydroxy-2-pentanone (4H2P): A Theoretical Study Rouichi S, Samai S, Ferhati A, Chakir A
2144 - 2149	Probability and Flux Densities in the Center-of-Mass Frame Barth I
2150 - 2159	Na-2 Vibrating in the Double-Well Potential of State 2(1)Sigma(+)(u) (JM=00): A Pulsating "Quantum Bubble" with Antagonistic Electronic Flux Diestler DJ, Jia D, Manz J, Yang Y
2160 - 2167	Effect of Transition Metal Fragments on the Reverse Fritsch-Buttenberg-Wiechell Type Ring Contraction Reaction of Metallabenzynes to Metal-Carbene Complexes Anusha C, De S, Parameswaran P
2168 - 2177	A Definition of the Magnetic Transition Temperature Using Valence Bond Theory Jornet-Somoza J, Deumal M, Borge J, Robb MA
2178 - 2183	Hypervalent Bonding in the OF(a(4)Sigma(-)), SF(a(4)Sigma(-), SF5/SF6, and OSF4 Species Kalemos A
2184 - 2197	The X40x10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence Correlation Kesharwani MK, Manna D, Sylvetsky N, Martin JML
2198 - 2208	Probing the Most Stable Isomer of Zirconium Bis(phenoxy-imine) Cation: A Computational Investigation Saha S, Takayanagi M, Matsumoto K, Sankaran SK, Tanaka Y, Koga N, Nagaoka M
2209 - 2220	Catalytic Reduction of Nitrous Oxide by the Low-Symmetry Pt-8 Cluster Hernandez E, Bertin V, Soto J, Miralrio A, Castro M
2221 - 2231	Thermodynamic Acidity Studies of 6,6 '-Dihydroxy-2,2 '-bipyridine: A Combined Experimental and Computational Approach Burks DB, Vasiliu M, Dixon DA, Papish ET
2232 - 2240	Electronic Properties of Sulfur Covered Ru(0001) Surfaces Pisarra M, Diaz C, Bernardo-Gavito R, Navarro JJ, Black A, Calleja F, Granados D, Miranda R, de Parga ALV, Martin F
2241 - 2249	Time-Resolved Photoelectron Imaging of Molecular Coherent Excitation and Charge Migration by Ultrashort Laser Pulses Yuan KJ, Bandrauk AD
2250 - 2257	Ligand-Controlled Electron Structure of Catalytically Active Ni Complexes Quiros MT, Collado-Sanz D, Bunuel E, Cardenas DJ
2258 - 2265	Super Strong Be-Be Bonds: Theoretical Insight into the Electronic Structure of Be-Be Complexes with Radical Ligands Brea O, Corral I
2266 - 2278	Entangled Photonic-Nuclear Molecular Dynamics of LiF in Quantum Optical Cavities Triana JF, Pelaez D, Sanz-Vicario JL
2279 - 2287	Tuning the Strength of the Resonance-Assisted Hydrogen Bond in o-Hydroxybenzaldehyde by Substitution in the Aromatic Ring Pareras G, Palusiak M, Duran M, Sola M, Simon S
2288 - 2296	Formation of C-2v-C-72(11188)Cl-4: A Particularly Stable Non-IPR Fullerene Moreno-Vicente A, Abella L, Azmani K, Rodriguez-Fortea A, Poblet JM
2297 - 2306	Planar Tricyclic B8O8 and B8O8- Clusters: Boron Oxide Analogues of s-Indacene C12H8 Li DZ, Feng LY, Zhang LJ, Pei L, Tian WJ, Li PF, Zhai HJ
2307 - 2317	First-Principle Investigations of the Interaction between CO and O-2 with Group 11 Atoms on a Defect-Free MgO(001) Surface Topfer K, Tremblay JC