Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.107, No.38 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (41 articles)

7337 - 7339	Evaluation of the analogy between exceptions to the generalized maximum hardness principle for non-totally-symmetric vibrations and the pseudo-Jahn-Teller effect Blancafort L, Torrent-Sucarrat M, Luis JM, Duran M, Sola M
7340 - 7346	Dynamics of solvation of the fluorescent state of some electron donor-acceptor molecules in room temperature ionic liquids, [BMIM][(CF3SO2)(2)N] and [EMIM][(CF3SO2)(2)N] Karmakar R, Samanta A
7347 - 7354	Dynamics of chemical and charge-transfer reactions of molecular dications. IV. Proton transfer and reactions of dication isomers in the CHCl2++D-2 system Roithova J, Zabka J, Hrusak J, Thissen R, Herman Z
7355 - 7363	An ab initio study of the potential energy surface of the reaction CHCl2++H-2 and comparison with experimental data Roithova J, Hrusak J, Herman Z
7364 - 7372	Spectroscopic studies of the So-Si transition of substituted 1-aminonaphthalenes in a supersonic Lahmani F, Zehnacker-Rentien A, Coudert LH, Zachariasse KA
7373 - 7379	Laser photoelectron spectroscopy and dynamics of S-1 p-fluorotoluene Bellm SM, Whiteside PT, Reid KL
7380 - 7389	Parallel-tempering Monte Carlo study of (H2O)(n)=(6-9) Tharrington AN, Jordan KD
7390 - 7395	Matrix isolation of electron bombarded gases containing Fe(CO)(5): an FTIR absorption study of neutral and anion decomposition products Parnis JM, Thompson MGK, Ashenhurst LM
7396 - 7405	Infrared photodissociation spectroscopy of mass-selected Al+(CO2)(n) and Al+(CO2)(n)Ar clusters Walters RS, Brinkmann NR, Schaefer HF, Duncan MA
7406 - 7412	Solvated ion evaporation from charged water nanodroplets Znamenskiy V, Marginean L, Vertes A
7413 - 7422	Modeling kinetic shifts and competition in threshold collision-induced dissociation. Case study: n-butylbenzene cation dissociation Muntean F, Armentrout PB
7423 - 7428	Radiolytic reactions of monochloramine in aqueous solutions Poskrebyshev GA, Huie RE, Neta P
7429 - 7433	Modeling the organic nitrate yields in the reaction of alkyl peroxy radicals with nitric oxide. 1. Electronic structure calculations and thermochemistry Lohr LL, Barker JR, Shroll RM
7434 - 7444	Modeling the organic nitrate yields in the reaction of alkyl peroxy radicals with nitric oxide. 2. Reaction simulations Barker JR, Lohr LL, Shroll RM, Reading S
7445 - 7453	Investigating the dynamics of carbanion protonation by means of laser flash electron photoinjection from an electrode Gamby J, Hapiot P, Saveant JM
7454 - 7464	Direct determination of kinetic rates from single-molecule photon arrival trajectories using hidden Markov models Andrec M, Levy RM, Talaga DS
7465 - 7470	Mercury and reactive halogens: The thermochemistry of Hg+{Cl-2, Br-2, BrCl, ClO, and BrO} Balabanov NB, Peterson KA
7471 - 7474	Transferability of atomic volumes and charges in the peptide bond region in the solid state Dittrich B, Scheins S, Paulmann C, Luger P
7475 - 7481	Controlling the extent of diradical character by utilizing neighboring group interactions Jung YS, Head-Gordon M
7482 - 7489	Generalized graph matrix, graph geometry, quantum chemistry, and optimal description of physicochemical properties Estrada E
7490 - 7495	The usefulness of density functional theory to describe the tautomeric equilibrium of 4,6-dimethyl-2-mercaptopyrimidine in solution Martos-Calvente R, O'Shea VAD, Campos-Martin JM, Fierro JLG
7496 - 7504	Bonding in polycyclic aromatic hydrocarbons in terms of the electron density and of electron delocalization Matta CF, Hernandez-Trujillo J
7505 - 7513	Ionization dynamics of trans-formanilide-H2O complexes: A direct ab initio dynamics study Tachikawa H, Igarashi M, Ishibashi T
7514 - 7523	Ab initio study of spectral and thermochemical properties of 1H-phospholes Delaere D, Pham-Tran NN, Nguyen MT
7524 - 7538	Structure of solvated Fe(CO)(5): FTIR measurements and density functional theory calculations Jiang Y, Lee T, Rose-Petruck CG
7539 - 7545	Theoretical prediction of the Co-C bond strength in cobalamins Jensen KP, Ryde U
7546 - 7551	Theoretical study of the CH4 center dot(H2O)(2) and CH4. H5O2+ complexes. Three-hydrogen-atoms interaction Kryachko ES, Zeegers-Huyskens TS
7552 - 7560	A quantum-chemistry-based potential for a poly(ester urethane) Smith GD, Bedrov D, Byutner O, Borodin O, Ayyagari C, Sewell TD
7561 - 7566	Electric polarization of dilute polar solutions: Revised treatment for arbitrary shaped molecules Vlassiouk I, Smirnov S
7567 - 7573	Characterization of the giant transient dipole generated by photoinduced electron transfer in a carotene-porphyrin-fullerene molecular triad Smirnov SN, Liddell PA, Vlassiouk IV, Teslja A, Kuciauskas D, Braun CL, Moore AL, Moore TA, Gust D
7574 - 7580	1,3-cycloaddition of ozone to ethylene, benzene, and phenol: A comparative a initio study Hendrickx MFA, Vinckier C
7581 - 7588	Local orbitals for the truncation of inactive space: Application to magnetic systems Calzado CJ, Evangelisti S, Maynau D
7589 - 7596	Three-fragment counterpoise correction of potential energy curves for proton-transfer reactions Ponti A, Mella M
7597 - 7603	Evaluation of hydration enthalpies of monatomic cations by considering both long-range and short-range interactions Ichieda N, Kasuno M, Banu K, Kihara S, Nakamatsu H
7604 - 7610	Theoretical investigations into the structural and electronic influences on the hydrogen bonding in doped polyaniline Foreman JP, Monkman AP
7611 - 7618	A direct classical trajectory study of HCl elimination from the 193 nm photodissociation of vinyl chloride Nunez EM, Fernandez-Ramos A, Vazquez SA, Aoiz FJ, Banares L
7619 - 7628	One-electron oxidation and reduction of different tautomeric forms of azo dyes: A pulse radiolysis study Sharma KK, O'Neill P, Oakes J, Batchelor SN, Rao BSM
7629 - 7642	Accurate C-13 and N-15 chemical shift and N-14 quadrupolar coupling constant calculations in amino acid crystals: Zwitterionic, hydrogen-bonded systems Strohmeier M, Stueber D, Grant DM
7643 - 7649	Theoretical study of NCO and RCCH (R = H, CH3, F, Cl, CN) [3+2] cycloaddition reactions Chen HT, Ho JJ
7650 - 7655	Theoretical investigation of the electronic states of calcium carbide, CaC Papakondylis A, Mavridis A
7656 - 7666	Mass-selected ion mobility studies of the isomerization of the benzene radical cation and binding energy of the benzene dimer cation. Separation of isomeric ions by dimer formation Rusyniak M, Ibrahim Y, Alsharaeh E, Meot-Ner M, El-Shall MS