Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.117, No.7 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (33 articles)

1371 - 1392	Shock Tube and Chemical Kinetic Modeling Study of the Oxidation of 2,5-Dimethylfuran Sirjean B, Fournet R, Glaude PA, Battin-Leclerc F, Wang WJ, Oehlschlaeger MA
1393 - 1399	Coulomb Explosion of Dichloroethene Geometric Isomers at 1 PW cm(-2) Yatsuhashi T, Nakashima N, Azuma J
1400 - 1405	Active Role of Proton in Excited State Intramolecular Proton Transfer Reaction Lee J, Kim CH, Joo T
1406 - 1412	Accurate Study on the Quantum Dynamics of the He + HeH+ (X-1 Sigma(+)) Reaction on A New ab lnitio Potential Energy Surface for the Lowest 1(1)A' Electronic Singlet State Xu WW, Zhang PY
1413 - 1419	Optical and Time-Resolved Electron Paramagnetic Resonance Studies of the Excited States of a UV-B Absorber (4-Methylbenzylidene)camphor Kikuchi A, Shibata K, Kumasaka R, Yagi M
1420 - 1427	Analysis of Low-Lying Gerade Rydberg States of Acetylene Using Two-Photon Resonance Fluorescence Excitation Spectroscopy Tsuji K, Misawa K, Awamura J, Kawai A, Shibuya K
1428 - 1438	Excimer of 9-Aminoacridine Hydrochloride Hydrate in Confined Medium: An Integrated Experimental and Theoretical Study Mitra P, Chakraborty B, Bhattacharyya D, Basu S
1439 - 1448	Monotrimethylene-Bridged Bis-p-phenylenediamine Radical Cations and Dications: Spin States, Conformations, and Dynamics Zalibera M, Jalilov AS, Stoll S, Guzei IA, Gescheidt G, Nelsen SF
1449 - 1465	Energetics and Dynamics of the Low-Lying Electronic States of Constrained Polyenes: Implications for Infinite Polyenes Christensen RL, Enriquez MM, Wagner NL, Peacock-Villada AY, Scriban C, Schrock RR, Polivka T, Frank HA, Birge RR
1466 - 1473	Determination of Very Rapid Molecular Rotation by Using the Central Electron Paramagnetic Resonance Line Kurban MR
1474 - 1482	Mechanism for Different Fluorescence Response of a Coumarin-Amide-Dipicolylamine Linkage to Zn(II) and Cd(II) in Water Sumiya S, Shiraishi Y, Hirai T
1483 - 1491	Influence of Intense THz Radiation on Spin State of Photoswitchable Compound Cu(hfac)(2)L-Pr Veber SL, Fedin MV, Maryunina KY, Boldyrev KN, Sheglov MA, Kubarev VV, Shevchenko OA, Vinokurov NA, Kulipanov GN, Sagdeev RZ, Ovcharenko VI, Bagryanskaya EG
1492 - 1502	Visible Light-Driven Chemistry of Oxalic Acid in Solid Argon, Probed by Raman Spectroscopy Olbert-Majkut A, Ahokas J, Pettersson M, Lundell J
1503 - 1507	Electronegativity, Charge Transfer, Crystal Field Strength, and the Point Charge Model Revisited Tanner PA, Ning LX
1508 - 1513	Infrared Spectra of NgBeS (Ng = Ne, Ar, Kr, Xe) and BeS2 in Noble-Gas Matrices Wang Q, Wang XF
1514 - 1521	Carbonyl Bonding on Oxophilic Metal Centers: Infrared Photodissociation Spectroscopy of Mononuclear and Dinuclear Titanium Carbonyl Cation Complexes Zhou XJ, Cui JM, Li ZH, Wang GJ, Liu ZP, Zhou MF
1522 - 1530	Ground State Proton Transfer in Phenol-(NH3)(n) (n <= 11) Clusters Studied by Mid-IR Spectroscopy in 3-10 mu m Range Miyazaki M, Kawanishi A, Nielsen I, Alata I, Ishiuchi S, Dedonder C, Jouvet C, Fujii M
1531 - 1534	Theoretical Investigation on Monomer and Solvent Selection for Molecular Imprinting of Nitrocompounds Saloni J, Walker K, Hill G
1535 - 1547	Transferability of Atomic Multipoles in Amino Acids and Peptides for Various Density Partitions Woinska M, Dominiak PM
1548 - 1559	Quantum-Chemical Studies on the Favored and Rare Tautomers of Neutral and Redox Adenine Raczynska ED, Makowski M, Zientara-Rytter K, Kolczynska K, Stepniewski TM, Hallmann M
1560 - 1568	Impact of Geometry Optimization on Base-Base Stacking Interaction Energies in the Canonical A- and B-Forms of DNA McDonald AR, Denning EJ, MacKerell AD
1569 - 1582	Ab Initio Calculations of Thermochemical Properties of Methanol Clusters Umer M, Leonhard K
1583 - 1595	Structures, Stabilization Energies, and Binding Energies of Quinoxaline center dot center dot center dot (H2O)(n') Quinoxaline Dimer, and Quinoxaline center dot center dot center dot Cu Complexes: A Theoretical Study Kabanda MM, Ebenso EE
1596 - 1600	Reactivity Patterns of Imidazole, Oxazole, and Thiazole As Reflected by the Polarization Justified Fukui Functions Beker W, Szarek P, Komorowski L, Lipinski J
1601 - 1613	Interaction Between Group llb Divalent Transition-Metal Cations and 3-Mercaptopropionic Acid: A Computational and Topological Perspective Bagchi S, Mandal D, Ghosh D, Das AK
1614 - 1620	Planar to 3D Transition in the B6Hy Anions Olson JK, Boldyrev AI
1621 - 1631	Pseudo Jahn-Teller Effect and Natural Bond Orbital Analysis of Structural Properties of Tetrahydridodimetallenes M2H4, (M = Si, Ge, and Sn) Nori-Shargh D, Mousavi SN, Boggs JE
1632 - 1640	Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions Gibbs GV, Ross NL, Cox DF, Rosso KM, Iversen BB, Spackman MA
1641 - 1650	Anomeric Effect in Halogenated Methanols: A Quantum Theory of Atoms in Molecules Study Ferro-Costas D, Vila A, Mosquera RA
1651 - 1658	Tautomerism and Possible Polymorphism in Solid Hydroxypyridines and Pyridones Studied by N-14 NQR Seliger J, Zagar V
1659 - 1664	Conformational Analysis and Intramolecular Interactions in Aminofluorobenzoic Acids Silla JM, Cormanich RA, Rittner R, Freitas MP
1665 - 1669	Luminescence of BODIPY and Dipyrrin: An MCSCF Comparison of Excited States Buyuktemiz M, Duman S, Dede Y
1670 - 1684	A New Generation of BnNn Rings as a Supplement to Boron Nitride Tubes and Cages Monajjemi M, Boggs JE