Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.39 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (46 articles)

9641 - 9643	On the mechanism of electron-capture-induced dissociation of peptide dications from N-15-labeling and crown-ether complexation Holm AIS, Hvelplund P, Kadhane U, Larsen MK, Liu B, Nielsen SB, Panja S, Pedersen JM, Skrydstrup T, Stochkel K, Williams ER, Worm ES
9644 - 9648	Mass spectrometry and photoelectron spectroscopy of tetracene cluster anions, (Tetracene)(n)(-) (n=1-100): Evidence for the highly localized nature of polarization in a cluster analogue of oligoacene crystals Mitsui M, Ando N, Nakajima A
9649 - 9653	Imidazole-based excited-state intramolecular proton-transfer(ESIPT) materials: Observation of thermally activated delayed fluorescence(TDF) Park S, Kwon OH, Lee YS, Jang DJ, Park SY
9654 - 9661	Role of the C-H stretch mode excitation in the dynamics of the Cl+CHD3 reaction: A quasi-classical trajectory calculation Espinosa-Garcia J
9662 - 9669	Photoinduced formation of N-2 molecules in ammonium compounds Aziz EF, Grasjo J, Forsberg J, Andersson E, Soderstrom J, Duda L, Zhang WH, Yang JL, Eisebitt S, Bergstrom C, Luo Y, Nordgren J, Eberhardt W, Rubensson JE
9670 - 9679	Gas-phase reactions and rearrangements of alkyl esters with H3O+, NO+, and O-2(center dot+): A selected ion flow tube study Francis GJ, Milligan DB, McEwan MJ
9680 - 9687	Terahertz vibration-rotation-tunneling spectroscopy of the ammonia dimer. II. A-E states of an out-of-plane vibration and an in-plane vibration Lin W, Han JX, Takahashi LK, Loeser JG, Saykally RJ
9688 - 9698	Theoretical study of the electronic and optical properties of photochromic dithienylethene derivatives connected to small gold clusters Perrier A, Maurel F, Aubard J
9699 - 9706	Unpaired and sigma bond electrons as H, Cl, and Li bond acceptors: An anomalous one-electron blue-shifting chlorine bond Raghavendra B, Arunan E
9707 - 9713	Fluorosulfonic acid and chlorosulfonic acid: Possible candidates for OH-Stretching overtone-induced photodissociation Lane JR, Kjaergaard HG
9714 - 9723	DNA oligonucleotide-cis-platin binding: Ab initio interpretation of the vibrational spectra Andrushchenko V, Wieser H, Bour P
9724 - 9732	Effects of the 3-and 4-methoxy and acetamide substituents and solvent environment on the electronic properties of n-substituted 1,8-naphthalimide derivatives Coronado JLG, Martin E, Montero LA, Fierro JLG, de la Vega JMG
9733 - 9744	Probing the intramolecular hydrogen bond of 2-(2-hydroxyphenyl)benzotriazoles in polar environment: A photophysical study of UV absorber efficiency Fluegge AP, Waiblinger F, Stein M, Keck J, Kramer HEA, Fischer P, Wood MG, DeBellis AD, Ravichandran R, Leppard D
9745 - 9755	Thermochemistry and infrared Spectroscopy of neutral and cationic iron-polycyclic aromatic hydrocarbon complexes of astrophysical interest: Fundamental density functional theory studies Simon A, Joblin C
9756 - 9763	Effects of protonation on the spectroscopic properties of tetrapyridoacridine (TPAC) mono- and dinuclear Ru(II) complexes in their ground and (MLCT)-M-3 excited states Herman L, Elias B, Pierard F, Moucheron C, Mesmaeker AKD
9764 - 9768	Observation of the 7(1)Pi(g) state of Na-2 by optical-optical double resonance Spectroscopy Chaudhuri C, Chang RY, Chen WX, Fang WC, Cheng JP, Whang TJ, Tsai CC
9769 - 9774	Kinetic approach for the study of noncovalent interaction between [Ru(NH3)(5)pz](2+) and gold nanoparticles Grueso E, Alcantara D, Martinez J, Mancera M, Penades S, Sanchez F, Pradogotor R
9775 - 9780	Matrix isolation infrared spectroscopic and theoretical study of dinuclear chromium oxide clusters: Cr2On (n=2, 4, 6) in solid argon Zhang QQ, Zhao YY, Gong Y, Zhou MF
9781 - 9788	Intramolecular triplet energy transfer via higher triplet excited state during stepwise two-color two-laser irradiation Oseki Y, Fujitsuka M, Sakamoto M, Majima T
9789 - 9795	Atmospheric chemistry of the Z and E isomers of CF3CF=CHF; Kinetics, mechanisms, and products of gas-phase reactions with Cl atoms, OH radicals, and O-3 Hurley MD, Ball JC, Wallington TJ
9796 - 9808	Secondary organic aerosol formation during the photooxidation of toluene: NOx dependence of chemical composition Sato K, Hatakeyama S, Imamura T
9809 - 9814	Direct experimental evidence for a heterogeneous reaction of ozone with bromide at the air-aqueous interface Clifford D, Donaldson DJ
9815 - 9822	Simplified reference wave functions for multireference perturbation theory Robinson D, McDouall JJW
9823 - 9829	On the bonding of first-row transition metal cations to guanine and adenine nucleobases Noguera M, Branchadell V, Constantino E, Rios-Font R, Sodupe M, Rodriguez-Santiago L
9830 - 9837	Energy screening for the incremental scheme: Application to intermolecular interactions Friedrich J, Hanrath M, Dolg M
9838 - 9847	Discovery of singlet diradicals: Theoretical study on the cage species C14N12-H-6 and its six derivatives Zhou H, Wong NB, Lau KC, Tian A, Li WK
9848 - 9853	Hydration behavior of alkyl amines and their corresponding protonated forms. 1. Ammonia and methylamine Hesske H, Gloe K
9854 - 9858	Temperature-induced reversal of proton tautomerism: Role of hydrogen bonding and aggregation in 7-hydroxyquinolines Miura M, Harada J, Ogawa K
9859 - 9870	Zero-flux surfaces of the electrostatic potential: The border of influence zones of nucleophilic and electrophilic sites in crystalline environment Mata I, Molins E, Espinosa E
9871 - 9883	Microcanonical transition state theory for activated gas-surface reaction dynamics: Application to H-2/Cu(111) with rotation as a spectator Abbott HL, Harrison I
9884 - 9889	Probing the influence of solvent effects on the conformational behavior of 1,3-diazacyclohexane systems Singh A, Ganguly B
9890 - 9900	How to model solvent effects on molecular properties using quantum chemistry? Insights from polarizable discrete or continuum solvation models Kongsted J, Mennucci B
9901 - 9913	Theoretical and spectroscopic study of 2-substituted Indan-1,3-diones: A coherent picture of the tautomeric equilibrium Angelova S, Enchev V, Kostova K, Rogojerov M, Ivanova G
9914 - 9923	Ab initio investigation on the second-order nonlinear optical responses in keto-enol equilibria of salicylideneanilines Guillaume M, Champagne B, Markova N, Enchev V, Castet F
9924 - 9930	HC P and H3C-C P as proton acceptors in protonated complexes containing two phosphorus bases: Structures, binding energies, and spin-spin coupling constants Alkorta I, Elguero J, Del Bene JE
9931 - 9939	Ca, Cd, Zn, and their ions interacting with cytosine: A theoretical study Vazquez MV, Martinez A
9940 - 9944	Structure and infrared Spectroscopy of group 6 transition-metal carbonyls in the gas phase: DFT studies on M(CO)(n) (M = Cr, Mo, and W; n = 6, 5, 4, and 3) Ishikawa YI, Kawakami K
9945 - 9951	Ab initio study of molecular properties and decomposition products of 1-azidoalkynes - A challenge for experimentalists Prochnow E, Auer AA, Banert K
9952 - 9960	Gas-phase structure, rotational barrier, and vibrational properties of methyl methanethiosulfonate, CH3SO2SCH3: An experimental and computational study Tuttolomondo ME, Navarro A, Ruiz TP, Varetti EL, Hayes SA, Wann DA, Robertson HE, Rankin DWH, Altabef AB
9961 - 9968	Density functional theory study of the platinum-catalyzed cyclopropanation reaction with olefin Geng ZY, Yan PJ, Wang YC, Yao XQ, Han YX, Liang JX
9969 - 9977	Mixed-valence polyoxometalates: Spin-coupling and electron distribution in the decawolframate anion reduced by two electrons Clemente-Juan JM, Coronado E, Gaita-Arino A, Suaud N
9978 - 9987	Computation of pK(a) values of substituted aniline radical cations in dimethylsulfoxide solution Yu A, Liu YH, Li ZC, Cheng JP
9988 - 9994	Is nucleus-independent chemical shift scan a reliable aromaticity index for planar heteroatomic ring systems? Seal P, Chakrabarti S
9995 - 10001	Rate constants of hydroperoxyl radical addition to cyclic nitrones: A DFT study Villamena FA, Merle JK, Hadad CM, Zweier JL
10002 - 10009	All-electron first principles calculations of the ground and some low-lying excited states of BaI Miliordos E, Papakondylis A, Tsekouras AA, Mavridis A
10010 - 10014	A theoretical study of large planar [N]phenylenes Schulman JM, Disch RL