NDRL Radiation Chemistry
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Recent Papers in Radiation and Photochemistry

04/27/07

#07_07

Kinetics Optical Spectra Thermodynamics
ESR Studies Excited States Photochemistry
Radiation Chemistry Related Experimental Studies Multiphase Systems
Polymers Biological & Medical Aspects Solar Energy
Industrial & Environmental Applications Theoretical Studies Reviews

Kinetics

Very large acceleration of the photoinduced electron transfer in a Ru(bpy)3-naphthalene bisimide dyad bridged on the naphthyl core.
Chaignon, F., Falkenstrom, M., Karlsson, S., Blart, E., Odobel, F., Hammarstrom, L., Chem. Commun. (Cambridge) (1): 64-6 (2007).

Ionization of aromatic sulfides in nonpolar media: Free vs reaction-controlled electron transfer.
Karakostas, N., Naumov, S., Brede, O., J. Phys. Chem. A 111(1): 71-8 (2007).

Reaction of O2 with the hydrogen atom in water up to 350 oC.
Janik, I., Bartels, D.M., Marin, T.W., Jonah, C.D., J. Phys. Chem. A 111(1): 79-88 (2007).

The behavior of exciplex decay processes and interplay of radiationless transition and preliminary reorganization mechanisms of electron transfer in loose and tight pairs of reactants.
Kuzmin, M.G., Soboleva, I.V., Dolotova, E.V., J. Phys. Chem. A 111(2): 206-15 (2007).

Optical Spectra

A theoretical and experimental investigation of some unusual intermolecular hydrogen-bond IR bands - Appearances can be deceptive.
Litwinienko, G., Di Labio, G.A., Ingold, K.U., Can. J. Chem. 84(10): 1371-9 (2006).

Discrimination between UV radiation-induced and thermally induced spectral changes in AT-paired DNA oligomers using UV resonance Raman spectroscopy.
Jirasek, A., Schulze, H.G., Hughesman, C.H., Creagh, A.L., Haynes, C.A., Blades, M.W., Turner, R.F.B., J. Raman Spectrosc. 37(12): 1368-80 (2006).

Synthesis and cation-dependent photochromism of spironaphthoxazines obtained from crown-containing dihydroisoquinolines.
Korolev, V.V., Vorobyev, D.Y., Glebov, E.M., Grivin, V.P., Plyusnin, V.F., Koshkin, A.V., Fedorova, O.A., Gromov, S.P., Alfimov, M.V., Shklyaev, Y.V., Vshivkova, T.S., Rozhkova, Y.S., Tolstikov, A.G., Lokshin, V.A., Samat, A., Mendeleev Commun. (6): 302-4 (2006).

Light-induced chemiluminescence.
Vasilev, R.F., Tsaplev, Y.B., Usp. Khim. 75(11): 1103-18 (2006).

A new absorption band of Ti-doped Al2O3 crystals after thermal annealing and [gamma]-irradiation.
Ma, J., Du, M.L., Chen, Q.H., Z. Naturforsch., A: Phys. Sci. 61(10-11): 564-8 (2006).

Single- and two-photon properties of a dye-derivatized Roussin's red salt ester (Fe2([mu]-RS)2(NO)4) with a large TPA cross section.
Wecksler, S.R., Mikhailovsky, A., Korystov, D., Buller, F., Kannan, R., Tan, L.S., Ford, P.C., Inorg. Chem. 46(2): 395-402 (2007).

Reversibly caged glutamate: A photochromic agonist of ionotropic glutamate receptors.
Volgraf, M., Gorostiza, P., Szobota, S., Helix, M.R., Isacoff, E.Y., Trauner, D., J. Am. Chem. Soc. 129(2): 260-1 (2007).

Ground and excited state resonance raman spectra of an azacrown-substituted [(bpy)Re(CO)3L]+ complex: Characterization of excited states, determination of structure and bonding, and observation of metal cation release from the azacrown.
Lewis, J.D., Clark, I.P., Moore, J.N., J. Phys. Chem. A 111(1): 50-8 (2007).

Matrix isolation infrared spectroscopic and theoretical study of noble gas coordinated rhodium-dioxygen complexes.
Yang, R., Gong, Y., Zhou, H., Zhou, M.F., J. Phys. Chem. A 111(1): 64-70 (2007).

Excited states and two-photon absorption of some novel thiophenyl Pt(II)-ethynyl derivatives.
Glimsdal, E., Carlsson, M., Eliasson, B., Minaev, B., Lindgren, M., J. Phys. Chem. A 111(2): 244-50 (2007).

Multicolor single-molecule spectroscopy with alternating laser excitation for the investigation of interactions and dynamics.
Ross, J., Buschkamp, P., Fetting, D., Donnermeyer, A., Roth, C.M., Tinnefeld, P., J. Phys. Chem. B 111(2): 321-6 (2007).

Thermodynamics

Photophysical characterization of a cytidine-guanosine tethered phthalocyanine-fullerene dyad.
Torres, T., Gouloumis, A., Sanchez-Garcia, D., Jayawickramarajah, J., Seitz, W., Guldi, D.M., Sessler, J.L., Chem. Commun. (Cambridge) (3): 292-4 (2007).

High energy and quantum efficiency in photoinduced charge separation.
Weber, J.M., Rawls, M.T., MacKenzie, V.J., Limoges, B.R., Elliott, C.M., J. Am. Chem. Soc. 129(2): 313-20 (2007).

Excited-state proton transfer in 7-hydroxy-4-methylcoumarin along a hydrogen-bonded water wire.
Georgieva, I., Trendafilova, N., Aquino, A.J.A., Lischka, H., J. Phys. Chem. A 111(1): 127-35 (2007).

Intermolecular electron transfer from excited benzophenone ketyl radical.
Sakamoto, M., Cai, X.C., Kim, S.S., Fujitsuka, M., Majima, T., J. Phys. Chem. A 111(2): 223-9 (2007).

ESR Studies

Nuclear-spin polarization in electron-transfer reactions of amines.
Roth, H.D., Helv. Chim. Acta 89(12): 2847-60 (2006).

Electron paramagnetic resonance of some [gamma]-irradiated amino acid derivatives.
Zincircioglu, S.B., Canoruc, N., Osmanoglu, S., Baskan, M.H., Dicle, I.Y., Aydin, M., Z. Naturforsch., A: Phys. Sci. 61(10-11): 577-82 (2006).

EPR spectroscopy and theoretical study of [gamma]-irradiated asparagine and aspartic acid in solid state.
Strzelczak, G., Berges, J., Houee-Levin, C., Pogocki, D., Bobrowski, K., Biophys. Chem. 125(1): 92-103 (2007).

ESR study of the mechanism of radical formation during liquid-and solid-phase radiolyses of ethylamines.
Belevskii, V.N., Belopushkin, S.I., Nuzhdin, K.B., High Energy Chem. (Transl. of Khim. Vys. Energ.) 41(1): 10-9 (2007).

Structures of the hexafluorocyclopropane, octafluorocyclobutane, and decafluorocyclopentane radical anions probed by experimental and computational studies of anisotropic electron spin resonance (ESR) spectra.
Shiotani, M., Lund, A., Lunell, S., Williams, F., J. Phys. Chem. A 111(2): 321-38 (2007).

Theoretical and experimental studies of the spin trapping of inorganic radicals by 5,5-dimethyl-1-pyrroline N-oxide (DMPO). 2. Carbonate radical anion.
Villamena, F.A., Locigno, E.J., Rockenbauer, A., Hadad, C.M., Zweier, J.L., J. Phys. Chem. A 111(2): 384-91 (2007).

Excited States

Effect of stereoisomerism on the radiative and reactive relaxation channels of two thio-analogues of distyrylbenzene.
Ginocchietti, G., Galiazzo, G., Pannacci, D., Mazzucato, U., Spalletti, A., Chem. Phys. 331(1): 164-72 (2006).

Photoionization affected by chemical anisotropy - art. no. 014506.
Gladkikh, V.S., Burshtein, A.I., J. Chem. Phys. 126: 014506 (2007).

Stereodifferentiating drug-biomolecule interactions in the triplet excited state: Studies on supramolecular carprofen/protein systems and on carprofen-tryptophan model dyads.
Lhiaubet-Vallet, V., Bosca, F., Miranda, M.A., J. Phys. Chem. B 111(2): 423-31 (2007).

Photochemistry

Synthesis and photochemical properties of a new water-soluble coumarin, designed as a chromophore for highly water-soluble and photolabile protecting group.
Senda, N., Momotake, A., Nishimura, Y., Arai, T., Bull. Chem. Soc. Jpn. 79(11): 1753-7 (2006).

A silyl-mediated [3+2] photochemical cycloaddition.
Organ, M.G., Mallik, D., Can. J. Chem. 84(10): 1259-62 (2006).

Photoinduced isomerization and luminescence of fac-[Re(CO)3(ph2phen)(bpe)]+.
Frin, K.M., Iha, N.Y.M., J. Braz. Chem. Soc. 17(8): 1664-71 (2006).

Synthesis of photoactive polyfunctional molecules based on 1-aryloxyanthraquinone aminoderivatives.
Klimenko, L.S., Kusov, S.Z., Vlasov, V.M., Russ. J. Org. Chem. 42(11): 1690-5 (2006).

Photolytically induced reactions of CpCo(CO)2 (Cp = C5H5, C5H4Me, C5Me5 and C5Ph5) with thiirane yielding dinuclear 1,2-ethanedithiolato-S,S complexes.
Drobnik, S., Stoll, C., Noth, H., Polborn, K., Hiller, W., Lorenz, I.P., Z. Naturforsch., B: Chem. Sci. 61(11): 1365-76 (2006).

Photochemical magnetism of crystalline 2,4,6-triazido-3,5-dichloropyridine.
Morgunov, R.B., Berdinskii, V.L., Kirman, M.V., Tanimoto, Y., Chapyshev, S.V., High Energy Chem. (Transl. of Khim. Vys. Energ.) 41(1): 33-6 (2007).

Structural investigation of the photoinduced spin conversion in the dinuclear compound {[Fe(bt)(NCS)2]2(bpym)}: toward controlled multi-stepped molecular switches.
Trzop, E., Cointe, M.B.L., Cailleau, H., Toupet, L., Molnar, G., Bousseksou, A., Gaspar, A.B., Real, J.A., Collet, E., J. Appl. Crystallogr. 40: 158-64 (2007).

Diarylethene microcrystals make directional jumps upon ultraviolet irradiation - art. no. 011101.
Colombier, I., Spagnoli, S., Corval, A., Baldeck, P.L., Giraud, M., Leaustic, A., Yu, P., Irie, M., J. Chem. Phys. 126(1): 011101 (2007).

The role of amines in the camphorquinone photoinitiated polymerization of multifunctional monomer.
Jakubiak, J., Wrzyszczynski, A., Linden, L.A., Rabek, J.F., J. Macromol. Sci., Part A: Pure Appl. Chem. 44(2): 239-42 (2007).

Inhibition of the fac-(RCO2)ReI(CO3)(bis-azine) photodecarboxylation of the carboxylate ligand, RCO2-, when R is a strongly electron donating group: Thermal and photochemical properties of complexes where R = ferrocene, 4-(dimethylamino)benzyl.
Juliarena, M.P., Ruiz, G.T., Wolcan, E., Lezna, R.O., Feliz, M.R., Ferraudi, G., Guerrero, J., Organometallics 26(2): 272-80 (2007).

Radiation Chemistry

Gas-to-liquid conversion of alkanes by electron beam radiolysis.
Ponomarev, A.V., Tsivadze, A.Y., Dokl. Phys. Chem. 411: 345-51 (2006).

Experimental study of excitation functions of some proton induced reactions on natTi for beam monitoring purposes.
Zarie, K., Al-Hammad, N., Azzam, A., Radiochim. Acta 94(12): 795-9 (2006).

Gas-phase radiation-chemical formation of dioxins from chlorinated phenols.
Gerasimov, G.Y., High Energy Chem. (Transl. of Khim. Vys. Energ.) 41(1): 20-4 (2007).

Dependence of 1,2-propanediol yield on formaldehyde concentration in gamma-radiolysis of ethanol-formaldehyde system at 373-473 K.
Novoselov, A.I., Silaev, M.M., Bugaenko, L.T., High Energy Chem. (Transl. of Khim. Vys. Energ.) 41(1): 53-4 (2007).

Heavy ion radiolysis of liquid pyridine.
Enomoto, K., LaVerne, J.A., Araos, M.S., J. Phys. Chem. A 111(1): 9-15 (2007).

Multiphase Systems

Photocatalytic paper from colloidal TiO2 - fact or fantasy.
Pelton, R., Geng, X.L., Brook, M., Adv. Colloid Interface Sci. 127(1): 43-53 (2006).

Reversible fluorescence wavelength shift based on photoinduced aggregate formation.
Fukaminato, T., Irie, M., Adv. Mater. (Weinheim, Ger.) 18(24): 3225-8 (2006).

Fine tuning of the face orientation of ZnO crystals to optimize their photocatalytic activity.
Jang, E.S., Won, J.H., Hwang, S.J., Choy, J.H., Adv. Mater. (Weinheim, Ger.) 18(24): 3309-12 (2006).

ERRATUM: Formation of photoresist-free patterned ZnO film containing nano-sized Ag by photochemical solution deposition (Vol. 252, pg. 7739, 2006).
Hong, C.S., Park, H.H., Wang, S.J., Moon, J., Park, H.H., Hill, R.H., Appl. Surf. Sci. 253(4): 1255 (2006).

Photocatalytic oxidation of natural organic adsorbates on anatase TiO2 films observed by infrared adsorption spectroscopy with a multiple internal reflection geometry.
Hirose, F., Kurita, M., Kimura, Y., Niwano, M., Appl. Surf. Sci. 253(4): 1912-6 (2006).

IR and XPS investigation of visible-light photocatalysis - Nitrogen-carbon-doped TiO2 film.
Yang, J., Bai, H.Z., Tan, X.C., Lian, J.S., Appl. Surf. Sci. 253(4): 1988-94 (2006).

Synthesis and characterization of the Pd/InVO4-TiO2 co-doped thin films with visible light photocatalytic activities.
Ge, L., Xu, M.X., Fang, H.B., Appl. Surf. Sci. 253(4): 2257-63 (2006).

Flux growth and characterization of photocatalytic Na2Ti6O13 whiskers.
Teshima, K., Yubuta, K., Sugiura, S., Suzuki, T., Shishido, T., Oishi, S., Bull. Chem. Soc. Jpn. 79(11): 1725-8 (2006).

Magnetic field effects on photoelectrochemical reactions of modified electrodes with C60-phenothiazine nanoclusters.
Yonemura, H., Kuroda, N., Yamada, S., Sci. Technol. Adv. Mater. 7(7): 643-8 (2006).

Nanostructural control of cup-stacked carbon nanotubes with 1-benzyl-1,4-dihydronicotinamide dimer via photoinduced electron transfer.
Saito, K., Ohtani, M., Fukuzumi, S., Chem. Commun. (Cambridge) (1): 55-7 (2007).

Photocatalytic properties of TiO2/Si-NPA nano composite systems.
Meng, S., Hao, W.C., Wang, C.Z., Li, X.J., Wang, T.M., Chin. Phys. Lett. 24(1): 256-8 (2007).

Electronically excited water aggregates and the adiabatic band gap of water - art. no. 014509.
do Couto, P.C., Cabral, B.J.C., J. Chem. Phys. 126: 014509 (2007).

Supramolecular photochemistry in zeolites: From catalysts to sunscreens.
Chretien, M.N., Pure Appl. Chem. 79(1): 1-20 (2007).

Polymers

The influence of UV irradiation on surface composition of collagen/PVP blended films.
Sionkowska, A., Wisniewski, M., Kaczmarek, H., Skopinska, J., Chevallier, P., Mantovani, D., Lazare, S., Tokarev, V., Appl. Surf. Sci. 253(4): 1970-7 (2006).

Reversible photodissociation of hexacarbonyl tungsten in cross-linked polymers.
Watanabe, A., Watanabe, T., Shan, Y.J., Tezuka, K., Imoto, H., Uedono, A., Bull. Chem. Soc. Jpn. 79(11): 1787-92 (2006).

Fabrication of patterned organic thin film by low-energy electron beam lithography and surface-initiated ring-opening metathesis polymerization.
Ding, Z.B., Ganem, B., Can. J. Chem. 84(10): 1254-8 (2006).

Detailed 1D/2D NMR analyses of benzophenone-related reaction products from a photopolymerization system of vinyl acetate and benzophenone.
Kong, L.B., Deng, J.P., Yang, W.T., Macromol. Chem. Phys. 207(24): 2311-20 (2006).

A highly efficient polyurethane-type polymeric photoinitiator containing in-chain benzophenone and coinitiator amine for photopolymerization of PU prepolymers.
Wei, J., Wang, H.Y., Jiang, X.S., Yin, J., Macromol. Chem. Phys. 207(24): 2321-8 (2006).

Structure and property modification of bimodal molecular weight distribution polyethylene by electron beam irradiation.
Lee, S.M., Jeon, H.J., Choi, S.W., Song, H.H., Nho, Y.C., Cho, K., Macromol. Res. 14(6): 640-5 (2006).

Photografted poly(ethylene glycol) matrix for affinity interaction studies.
Larsson, A., Ekblad, T., Andersson, O., Liedberg, B., Biomacromolecules 8(1): 287-95 (2007).

Synthesis, characterization, and induction of stable anisotropy in liquid crystalline photo-addressable PPI dendrimers.
Alcala, R., Gimenez, R., Oriol, L., Pinol, M., Serrano, J.L., Villacampa, B., Vinuales, A.I., Chem. Mater. 19(2): 235-46 (2007).

A spectrophotometric, electron spin resonance, and calorimetric study of low-temperature postradiation living radical polymerization of vinyl monomers in the presence of C60 fullerene.
Pakhomova, V.A., Gordon, D.A., Bolshakov, A.I., Mikhailov, A.I., High Energy Chem. (Transl. of Khim. Vys. Energ.) 41(1): 5-9 (2007).

Gamma radiation-induced preparation of polymeric composite sorbents and their structure assignments.
El-Zahhar, A.A., Abdel-Aziz, H.M., Siyam, T., J. Macromol. Sci., Part A: Pure Appl. Chem. 44(2): 215-22 (2007).

Swelling, thermal and mechanical properties of poly(vinylalcohol)/sodium alginate hydrogels synthesized by electron beam irradiation.
El-Din, H.M.N., Abd-Alla, S.G., El-Naggar, A.W.M., J. Macromol. Sci., Part A: Pure Appl. Chem. 44(3): 291-7 (2007).

Aging of a donor conjugated polymer: Photochemical studies of the degradation of poly[2-methoxy-5-(3′,7′-dimethyloctyloxy)-1,4-phenylenevinylene].
Chambon, S., Rivaton, A., Gardette, J.L., Firon, M., Lutsen, L., J. Polym. Sci., Part A: Polym. Chem. 45(2): 317-31 (2007).

Nanoblossoms: Light-induced conformational changes of cationic polyelectrolyte stars in the presence of multivalent counterions.
Plamper, F.A., Walther, A., Muller, A.H.E., Ballauff, M., Nano Lett. 7(1): 167-71 (2007).

Photochemistry of refractive index structures in poly(methyl methacrylate) by femtosecond laser irradiation.
Baum, A., Scully, P.J., Basanta, M., Thomas, C.L.P., Fielden, P.R., Goddard, N.J., Perrie, W., Chalker, P.R., Opt. Lett. 32(2): 190-2 (2007).

Biological & Medical Aspects

A novel porphyrin-polypyridyl ruthenium(II) hybrid. Synthesis, characterization and photoinduced DNA cleavage activity.
Liu, J., Huang, J.W., Zhao, P., Fu, B., Yu, H.C., Ji, L.N., Li, H., Transition Met. Chem. (London) 31(8): 1040-4 (2006).

Photochemical probing of the B-A conformational transition in a linearized pUC19 DNA and its polylinker region.
Nejedly, K., Chladkova, J., Kypr, J., Biophys. Chem. 125(1): 237-46 (2007).

The role of the [beta]-ionone ring in the photochemical reaction of rhodopsin.
Send, R., Sundholm, D., J. Phys. Chem. A 111(1): 27-33 (2007).

Solar Energy

Side chain effects on photoinduced absorption and photovoltaic performance of low bandgap thienylene vinylene and phenylene vinylene copolymers.
Nguyen, L.H., Gunes, S., Neugebauer, H., Sariciftci, N.S., Colladet, K., Fourier, S., Cleij, T.J., Lutsen, L., Gelan, J., Vanderzande, D., Eur. Phys. J.: Appl. Phys. 36(3): 219-23 (2006).

Donor-acceptor heterojunction solar cells based on perylene dimide and perylene bisbenzimidazole.
Erten, S., Meghdadi, F., Gunes, S., Koeppe, R., Sariciftci, N.S., Icli, S., Eur. Phys. J.: Appl. Phys. 36(3): 225-9 (2006).

Synthesis, characterization and application of donor-acceptor block copolymers in nanostructured bulk heterojunction solar cells.
Sommer, M., Thelakkat, M., Eur. Phys. J.: Appl. Phys. 36(3): 245-9 (2006).

Highly sensitive spectroscopic characterization of inorganic and organic heterojunctions for solar cells.
Vandewal, K., Goris, L., Haenen, K., Geerts, Y., Manca, J.V., Eur. Phys. J.: Appl. Phys. 36(3): 281-3 (2006).

Light-harvesting fullerenes for organic solar cells.
Baffreau, J., Leroy-Lhez, S., Derbal, H., Inigo, A.R., Nunzi, J.M., Groeneveld, M.M., Williams, R.M., Hudhomme, P., Eur. Phys. J.: Appl. Phys. 36(3): 301-5 (2006).

Out-door testing and long-term stability of plastic solar cells.
Katz, E.A., Gevorgyan, S., Orynbayev, M.S., Krebs, F.C., Eur. Phys. J.: Appl. Phys. 36(3): 307-11 (2006).

A novel blue dye for near-IR "dye-sensitised" solar cell applications.
Burke, A., Schmidt-Mende, L., Ito, S., Gratzel, M., Chem. Commun. (Cambridge) (3): 234-6 (2007).

Apollony photonic sponge based photoelectrochemical solar cells.
Ramiro-Manzano, F., Atienzar, P., Rodriguez, I., Meseguer, F., Garcia, H., Corma, A., Chem. Commun. (Cambridge) (3): 242-4 (2007).

Microstructure design of nanoporous TiO2 photoelectrodes for dye-sensitized solar cell modules.
Hu, L.H., Dai, S.Y., Weng, J., Xiao, S.F., Sui, Y.F., Huang, Y., Chen, S.H., Kong, F.T., Pan, X., Liang, L.Y., Wang, K.J., J. Phys. Chem. B 111(2): 358-62 (2007).

Intermediate-band solar cells employing quantum dots embedded in an energy fence barrier.
Wei, G.D., Forrest, S.R., Nano Lett. 7(1): 218-22 (2007).

Enhanced charge-collection efficiencies and light scattering in dye-sensitized solar cells using oriented TiO2 nanotubes arrays.
Zhu, K., Neale, N.R., Miedaner, A., Frank, A.J., Nano Lett. 7(1): 69-74 (2007).

Potential of using the Cd0.8Hg0.2Te alloy in solar cells.
Kosyachenko, L.A., Kulchinsky, V.V., Paranchych, S.Y., Sklyarchuk, V.M., Semiconductors 41(1): 94-102 (2007).

Industrial & Environmental Applications

Effect of electrolytes NaCl and Na2SO4 on the photoelectrocatalytic degradation of reactive brilliant K-2BP.
Du, L., Wu, J., Li, G.Y., Qin, S., Hu, C.W., Huaxue Xuebao 64(24): 2486-90 (2006).

A comparison of statistical methods for estimation of less than detectable ionising radiation exposures.
Daniels, R.D., Yiin, J.H., Radiat. Prot. Dosim. 121(3): 240-51 (2006).

Electron-beam treatment of drinking water in an industrial system.
Strokin, N.A., High Energy Chem. (Transl. of Khim. Vys. Energ.) 41(1): 1-4 (2007).

Enhanced ability of nanostructured titania film to assist photodegradation of rhodamine B in water through natural aging.
Wu, J.M., Huang, B., J. Am. Ceram. Soc. 90(1): 283-6 (2007).

A molecular keypad lock: A photochemical device capable of authorizing password entries.
Margulies, D., Felder, C.E., Melman, G., Shanzer, A., J. Am. Chem. Soc. 129(2): 347-54 (2007).

Theoretical Studies

Theoretical determination of the excited states and of g-factors of the Creutz-Taube ion, [(NH3)5-Ru-pyrazine-Ru-(NH3)5]5+.
Bolvin, H., Inorg. Chem. 46(2): 417-27 (2007).

Charge localization in stacked radical cation DNA base pairs and the benzene dimer studied by self-interaction corrected density-functional theory.
Mantz, Y.A., Gervasio, F.L., Laino, T., Parrinello, M., J. Phys. Chem. A 111(1): 105-12 (2007).

Theoretical prediction of the heats of formation of C2H5O• radicals derived from ethanol and of the kinetics of [beta]-C-C scission in the ethoxy radical.
Matus, M.H., Nguyen, M.T., Dixon, D.A., J. Phys. Chem. A 111(1): 113-26 (2007).

An ab initio study of the excited states, isomerization energy profiles and conical intersections of a chiral cyclohexylidene derivative.
Schreiber, M., Barbatti, M., Zilberg, S., Lischka, H., Gonzalez, L., J. Phys. Chem. A 111(2): 238-43 (2007).

Accurate calculation of the phenyl radical's magnetic inequivalency, relative orientations of its spin hamiltonian tensors, and its electronic spectrum.
Mattar, S.M., J. Phys. Chem. A 111(2): 251-60 (2007).

Theoretical studies on the excited states, DNA photocleavage, and spectral properties of complex [Ru(phen)2(6-OH-dppz)]2+.
Xu, L.C., Li, J., Shen, Y., Zheng, K.C., Ji, L.N., J. Phys. Chem. A 111(2): 273-80 (2007).

E-mail: ndrlrcdc.1@nd.edu
Author: K.P. Madden
Created: 7/2/97 Updated: 4/26/2007