NDRL Radiation Chemistry Data Center

Recent Papers in Radiation and Photochemistry

6/2/00

# 00_09

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

Kinetics

Femtosecond internal conversion and solvation dynamics of the solvated electrons in neat water and aqueous solution.
Laenen, R., Assel, M., Laubereau, A., Bull. Pol. Acad. Sci., Chem. 47(4): 283-301 (1999).

Real-time probing of elementary charge transfer processes in liquids and solutions.
Gauduel, Y., Bull. Pol. Acad. Sci., Chem. 47(4): 303-31 (1999).

Ultrafast electron transfer in tetracyanoethylene-benzene charge transfer complex.
Jarzeba, W., Tokarczyk, B., Murata, S., Tachiya, M., Bull. Pol. Acad. Sci., Chem. 47(4): 347-60 (1999).

Excited-state proton transfer in bifunctional compounds.
Bardez, E., Isr. J. Chem. 39(3-4): 319-32 (1999).

Hydrogen-bond dynamics and solvation of electronically excited states as determined by femtosecond vibrational spectroscopy.
Nibbering, E.T.J., Chudoba, C., Elsaesser, T., Isr. J. Chem. 39(3-4): 333-46 (1999).

Temperature dependence of excited-state proton transfer and geminate recombination processes in water and in glycerol-doped ice.
Poles, E., Cohen, B., Huppert, D., Isr. J. Chem. 39(3-4): 347-60 (1999).

Ground- and excited-state proton transfer in some o-hydroxy aromatic compounds and solvent effect.
Guha, D., Mandal, A., Das, R., Mitra, S., Mukherjee, S., Isr. J. Chem. 39(3-4): 375-85 (1999).

Radical additions of TEMPO to ketenes: Correlation of free radical and nucleophilic reactivity.
Allen, A.D., Cheng, B., Fenwick, M.H., Huang, W.W., Missiha, S., Tahmassebi, D., Tidwell, T.T., Org. Lett. 1(5): 693-6 (1999).

Synthesis and photophysical properties of steroid linked porphyrin-fullerene hybrids.
Fong, R., Schuster, D.I., Wilson, S.R., Org. Lett. 1(5): 729-32 (1999).

Phthalocyanine-azocrown-fullerene multicomponent system: Synthesis, photoinduced processes, and electrochemistry.
Sastre, A., Gouloumis, A., Vazquez, P., Torres, T., Doan, V., Schwartz, B.J., Wudl, F., Echegoyen, L., Rivera, J., Org. Lett. 1(11): 1807-10 (1999).

Ultrafast electron dynamics at surfaces probed by resonant Auger spectroscopy.
Wurth, W., Menzel, D., Chem. Phys. 251(1-3): 141-9 (2000).

Femtosecond solvation dynamics of solvated electrons in neat water.
Assel, M., Laenen, R., Laubereau, A., Chem. Phys. Lett. 317(1-2): 13-22 (2000).

Hydrogen-transferred radical cations of NADH model compounds. 2. Sequential electron-proton addition to NAD+.
Marcinek, A., Rogowski, J., Adamus, J., Gebicki, J., Bednarek, P., Bally, T., J. Phys. Chem. A 104(4): 718-23 (2000).

Hydrogen-transferred radical cations of NADH model compounds. 3. 1,8-Acridinediones.
Marcinek, A., Adamus, J., Gebicki, J., Platz, R.S., Bednarek, P., J. Phys. Chem. A 104(4): 724-8 (2000).

Femtosecond optical switching of electron transport direction in branched donor-acceptor arrays.
Lukas, A.S., Miller, S.E., Wasielewski, M.R., J. Phys. Chem. B 104(5): 931-40 (2000).

Temperature dependence of photoinduced electron transfer within self-assembled uroporphyrin-cytochrome c complexes.
Croney, J.C., Helms, M.K., Jameson, D.M., Larsen, R.W., J. Phys. Chem. B 104(5): 973-7 (2000).

Formation of the propargyl radical in the reaction of 1CH2 and C2H2: experiment and modelling.
Blitz, M.A., Beasley, M.S., Pilling, M.J., Robertson, S.H., Phys. Chem. Chem. Phys. 2(4): 805-12 (2000).

Femtosecond concerted elimination of halogen molecules from halogenated alkanes.
Marvet, U., Brown, E.J., Dantus, M., Phys. Chem. Chem. Phys. 2(4): 885-91 (2000).

A forgotten channel in the excited state dynamics of phenol-(ammonia)n clusters: hydrogen transfer.
Pino, G., Gregoire, G., Dedonder-Lardeux, C., Jouvet, C., Martrenchard, S., Solgadi, D., Phys. Chem. Chem. Phys. 2(4): 893-900 (2000).


Optical Spectra

Five-membered-ring 9-I-2 radicals: Direct detection and comparison with other hypervalent iodine radicals.
Miranda, M.A., PerezPrieto, J., FontSanchis, E., Scaiano, J.C., Org. Lett. 1(10): 1587-9 (1999).

A novel optical sensor for metal ions based on ground-state intermolecular charge-transfer complexation.
Gromov, S.P., Ushakov, E.N., Vedernikov, A.I., Lobova, N.A., Alfimov, M.V., Strelenko, Y.A., Whitesell, J.K., Fox, M.A., Org. Lett. 1(11): 1697-9 (1999).

The singular coincidence of fluorescence spectra of the anionic and cationic species formed by the respective deprotonated and protonated pyrido-pyrrolo bases.
Del Valle, J.C., Kasha, M., Catalan, J., Int. J. Quantum Chem. 77(1): 118-27 (2000).


ESR Studies

Triplet state of Wurster's blue-based di(cation radical).
Ito, A., Taniguchi, A., Yamabe, T., Tanaka, K., Org. Lett. 1(5): 741-3 (1999).

EPR studies on the Sml2-promoted coupling of N-(N',N'-dialkylaminoalkyl)benzotriazoles.
Katritzky, A.R., He, H.Y., Qiu, G., Bratt, P.J., Parrish, S.H., Angerhofer, A., Org. Lett. 1(11): 1755-7 (1999).

Dead-time free measurement of dipole-dipole interactions between electron spins.
Pannier, M., Veit, S., Godt, A., Jeschke, G., Spiess, H.W., J. Magn. Reson. 142(2): 331-40 (2000).

Electron spin resonance of MO5+ in KTiOPO4.
Chandrasekharan, K., Murty, V.S., Kumar, F.J., Ramaswamy, P., Rao, P.S., J. Mater. Sci. 35(6): 1561-4 (2000).

Triplet radical interaction. Direct measurement of triplet polarization transfer by Fourier transform electron paramagnetic resonance.
Blank, A., Levanon, H., J. Phys. Chem. A 104(4): 794-800 (2000).

Secondary isotope effect on photoinduced isomerization of alkyl radicals in low-temperature solids.
Takada, T., Koizumi, H., Ichikawa, T., J. Phys. Chem. B 104(4): 703-8 (2000).

Band-shape analysis of delayed slow-passage ODMR in the photoexcited triplet state of tryptophan.
Ozarowski, A., Maki, A.H., J. Phys. Chem. B 104(5): 1122-7 (2000).

Electron spin resonance study of electron transfer rates in DNA: Determination of the tunneling constant [beta] for single-step excess electron transfer.
Messer, A., Carpenter, K., Forzley, K., Buchanan, J., Yang, S., Razskazovskii, Y., Cai, Y.L., Sevilla, M.D., J. Phys. Chem. B 104(5): 1128-36 (2000).


Excited States

Intermolecular excited-state proton transfer in clusters of 1-naphthol with water and with ammonia.
Knochenmuss, R., Fischer, I., Luhrs, D., Lin, Q., Isr. J. Chem. 39(3-4): 221-30 (1999).

Photoinduced double proton transfer: Inter- and intramolecular cases.
Kyrychenko, A., Herbich, J., Izydorzak, M., Gil, M., Dobkowski, J., Wu, F.Y., Thummel, R.P., Waluk, J., Isr. J. Chem. 39(3-4): 309-18 (1999).

Studies of C60 and C70 incorporated in cubic mesoporous silica (MCM-48).
Govindaraj, A., Nath, M., Eswaramoorthy, M., Chem. Phys. Lett. 317(1-2): 35-9 (2000).

Photophysics of supercomplexes. A laser-induced optoacoustic study of the adducts between Ru(bpy)(CN)42- and polyaza macrocycles.
Borsarelli, C.D., Braslavsky, S.E., Indelli, M.T., Scandola, F., Chem. Phys. Lett. 317(1-2): 53-8 (2000).

Aggregated states of luminescent conjugated polymers in solutions.
Chang, R., Hsu, J.H., Fann, W.S., Yu, J., Lin, S.H., Lee, Y.Z., Chen, S.A., Chem. Phys. Lett. 317(1-2): 153-8 (2000).

Lifetime- and color-tailored fluorophores in the micro- to millisecond time regime.
Chen, J.Y., Selvin, P.R., J. Am. Chem. Soc. 122(4): 657-60 (2000).

An interesting ligand for the preparation of luminescent plastics: The picrate ion.
Bermudez, V.D., Carlos, L.D., Silva, M.M., Smith, M.J., J. Chem. Phys. 112(7): 3293-313 (2000).

The efficient blue photoluminescence of pyrazolo-[3,4-b]-quinoline derivatives and the energy transfer in polymer matrices.
He, Z., Milburn, G.H.W., Baldwin, K.J., Smith, D.A., Danel, A., Tomasik, P., J. Lumin. 86(1): 1-14 (2000).

Analysis of the temperature dependence of the racemization of Eu(III) complexes through measurement of steady-state circularly polarized luminescence.
Belair, S.D., Maupin, C.L., Logue, M.W., Riehl, J.P., J. Lumin. 86(1): 61-6 (2000).

Luminescence and energy transfer of [Ru(bpy)3]2+, [Cr(ox)3]3-, and [Os(bpy)3]2+ in three-dimensional oxalato-networks.
von Arx, M.E., Burattini, E., Hauser, A., van Pieterson, L., Pellaux, R., Decurtins, S., J. Phys. Chem. A 104(5): 883-93 (2000).

Molecular dynamics - Optical control of reactions.
Rice, S.A., Nature (London) 403(6769): 496-7 (2000).

State-specific collisional coupling of the CH A 2[Delta] and B 2[Sigma]- states.
Randall, C.J., Murray, C., McKendrick, K.G., Phys. Chem. Chem. Phys. 2(4): 461-71 (2000).


Photochemistry

Cyclometallation reactions in the Fe(dprpe)2 system [dprpe = 1,2-bis(dipropylphosphino)ethane].
Baker, M.V., Field, L.D., Aust. J. Chem. 52(11): 1005-11 (1999).

Temperature dependent solvent effects in photochemistry of 1-phenylpentan-1-ones.
Klan, P., Literak, J., Collect. Czech. Chem. Commun. 64(12): 2007-18 (1999).

Photooxidation of methyldithiepins into dithiepin carboxaldehydes in carbon tetrachloride.
Wan, Y.Q., Barnhurst, L.A., Kutateladze, A.G., Org. Lett. 1(6): 937-9 (1999).

Solvent-dependent photochemical rearrangements of ethers of styrylheterocycles.
Wu, J.Y., Ho, J.H., Shih, S.M., Hsieh, T.L., Ho, T.I., Org. Lett. 1(7): 1039-41 (1999).

Photoselection of carbene stereoisomers with surprisingly different electronic spectra: 3-furylchlorocarbene.
Khasanova, T., Sheridan, R.S., Org. Lett. 1(7): 1091-3 (1999).

Solvent-dependent stereoselectivity of bis-5-pyridone [4+4] photocycloaddition is due to H-bonded dimers.
Sieburth, S.M., McGee, K.F., Org. Lett. 1(11): 1775-7 (1999).

Chromophore aggregation hampers photoisomerization in Langmuir-Blodgett films of stearoyl ester of Disperse Red-13 (DR13St).
Dos Santos, D.S., Mendonca, C.R., Balogh, D.T., Dhanabalan, A., Cavalli, A., Misoguti, L., Giacometti, J.A., Zilio, S.C., Oliveira, O.N., Chem. Phys. Lett. 317(1-2): 1-5 (2000).

Determination of quantum efficiency of persistent spectral hole burning using dispersive kinetics.
Turukhin, A.V., Gorokhovsky, A.A., Chem. Phys. Lett. 317(1-2): 109-15 (2000).

Kinetics and mechanism of phosphate photorelease from benzoin diethyl phosphate: Evidence for adiabatic fission to an [alpha]-keto cation in the triplet state.
Rajesh, C.S., Givens, R.S., Wirz, J., J. Am. Chem. Soc. 122(4): 611-8 (2000).

Carbon-oxygen bond dissociation enthalpies in peroxyl radicals.
Kranenburg, M., Ciriano, M.V., Cherkasov, A., Mulder, P., J. Phys. Chem. A 104(5): 915-21 (2000).


Radiation Chemistry

Irradiation-induced defects and high-field magnetoresistance of high-purity tungsten single crystals.
Marchenkov, V.V., Arkhipov, V.E., Suvorov, A.L., Weber, H.W., Fiz. Met. Metalloved. 88(1): 41-9 (1999).

Radiation damage of beryllium blocks of an SM reactor.
Chakin, V.P., Fiz. Met. Metalloved. 88(2): 103-7 (1999).

Thermostimulated luminescence, photoluminescence and X-ray-induced luminescence in CaSO4 : Ce; CaSO4 : Ce, Na; CaSO4 : Ce, Mn and CaSO4 : Ce, Mn, Na phosphors.
Nair, B.S.K., Sundar, D., Tomita, A., Hoffmann, W., Lakshmanan, A.R., J. Lumin. 86(1): 67-78 (2000).

Measurements of Mu + NO termolecular kinetics up to 520 bar: isotope effects and the Troe theory.
Pan, J.J., Arseneau, D.J., Senba, M., Fleming, D.G., Himmer, U., Suzuki, Y., Phys. Chem. Chem. Phys. 2(4): 621-9 (2000).


Experimental Studies on Related Topics

Enantioselective preparation of 4-substituted cyclohexenes by radical fragmentation of sulfoxides.
Imboden, C., Villar, F., Renaud, P., Org. Lett. 1(6): 873-5 (1999).

Radical cyclization of [beta]-alkoxymethacrylates: Expedient synthesis of (+)-methyl nonactate.
Lee, E., Choi, S.J., Org. Lett. 1(7): 1127-8 (1999).

Efficient radical oxygenation of [alpha]-lodocarboxylic acid derivatives.
Kihara, N., Ollivier, C., Renaud, P., Org. Lett. 1(9): 1419-22 (1999).

A silicon tether approach for diastereocontrol in radical addition to chiral hydrazones.
Friestad, G.K., Org. Lett. 1(9): 1499-501 (1999).

Efficient synthesis of 2-deoxy L-ribose from L-arabinose: Mechanistic information on the 1,2-acyloxy shift in alkyl radicals.
Jung, M.E., Xu, Y., Org. Lett. 1(10): 1517-9 (1999).

Reaction of silyl enol ethers with xenon difluoride in MeCN: Evidence for a nonclassical radical cation intermediate.
Ramsden, C.A., Smith, R.G., Org. Lett. 1(10): 1591-4 (1999).

First total synthesis of +/--methyl gummiferolate using a homoallyl-homoallyl radical rearrangement reaction.
Toyota, M., Yokota, M., Ihara, M., Org. Lett. 1(10): 1627-9 (1999).

Stereoselectivity of free radical attachment of trichlorobromomethane to methylpropiolate.
Ilin, P.V., Izyurov, A.L., Dneprovskii, A.S., Zh. Org. Khim. 35(10): 1472-7 (1999).


Multiphase Systems

On the mechanism of radical C-N coupling in type B semiconductor photocatalysis: A high-pressure study.
Reinheimer, A., van Eldik, R., Kisch, H., J. Phys. Chem. B 104(5): 1014-24 (2000).

Micropatterning of alkyl- and fluoroalkylsilane self-assembled monolayers using vacuum ultraviolet light.
Sugimura, H., Ushiyama, K., Hozumi, A., Takai, O., Langmuir 16(3): 885-8 (2000).

Formation, characterization, and properties of nanostructured [Ru(bpy)3]2+-C60 Langmuir-Blodgett films in situ at the air-water interface and ex situ on substrates.
Guldi, D.M., Maggini, M., Mondini, S., Guerin, F., Fendler, J.H., Langmuir 16(3): 1311-8 (2000).

Photoracemization broadening of selective reflection and polarization band of glassy chiral-nematic films.
Chen, S.H., Jin, R.J., Katsis, D., Mastrangelo, J.C., Papernov, S., Schmid, A.W., Liq. Cryst. 27(2): 201-9 (2000).


Polymers

Synthesis and photochemical transformations of polyimides with pendant[2-(vinyloxy)ethoxy] groups.
Vainer, A.Y., Dyumaev, K.M., Kovalenko, A.M., Mogilatova, V.S., Obolenskaya, R.A., Dokl. Akad. Nauk 367(1): 78-80 (1999).

Magnetic effects in geminal recombination reaction of ketyl and aminyl radicals in solid polymers.
Ivanov, V.B., Levin, P.P., Selikhov, V.V., Khavina, E.Y., Dokl. Akad. Nauk 367(2): 204-7 (1999).

Surface modification of poly(tetrafluoroethylene) films by graft copolymerization for adhesion improvement with sputtered In-Sn oxides.
Wu, J.Z., Kang, E.T., Neoh, K.G., Tan, K.L., Cui, C.Q., Lim, T.B., J. Adhes. 71(4): 357-76 (1999).

Radiation-induced polymerization of monomers at 4.2 K - Comment.
Barkalov, I.M., Vysokomol. Soedin., Ser. A 41(12): 1948 (1999).

Synthesis and photochemical analysis of styrene polymers parasubstituted by d-diketone grafts.
Mansri, A., Guemra, K., Eur. Polym. J. 36(4): 751-8 (2000).

Photooxidative degradation of poly(alkyl methacrylate)s.
Kaczmarek, H., Kaminska, A., van Herk, A., Eur. Polym. J. 36(4): 767-77 (2000).

Sterically hindered phenol-dextran conjugates: radical scavenging activity in water and water-organic media.
Arefiev, D.V., Domnina, N.S., Komarova, E.A., Bilibin, A.Y., Eur. Polym. J. 36(4): 857-60 (2000).

PDLC based on unsaturated polyester resins: molecular, morphological and thermo-optical analysis.
Abbate, M., Mormile, P., Martuscelli, E., Musto, P., Petti, L., Ragosta, G., Villano, P., J. Mater. Sci. 35(4): 999-1008 (2000).

Polymerized ABA triblock copolymer vesicles.
Nardin, C., Hirt, T., Leukel, J., Meier, W., Langmuir 16(3): 1035-41 (2000).

Thermally induced intramolecular surface reactions on a photoimageable dielectric.
Angelopoulos, A.P., Matienzo, L.J., Jones, G.W., Langmuir 16(3): 1078-82 (2000).

Photosensitive cholesteric copolymers with spiropyran-containing side groups. II. Kinetic features of the photo- and thermo-chromic processes.
Bobrovsky, A.K., Boiko, N.I., Shibaev, V.P., Liq. Cryst. 27(2): 219-23 (2000).

Specific modification of polysulfone with cluster bombardment with assistance of Ar ion irradiation.
Xu, G.C., Hibino, Y., Awazu, K., Tanihara, M., Imanishi, Y., Rev. Sci. Instrum. 71(2): 789-92 (2000).

Radiolytic stability of some recently developed ion exchange and extraction chromatographic resins containing diphosphonic acid groups.
Chiarizia, R., Horwitz, E.P., Solvent Extr. Ion Exch. 18(1): 109-32 (2000).

Photochemistry of N2O on Si(100), surface photo-oxidation.
Kato, H., Lee, J., Sawabe, K., Matsumoto, Y., Surf. Sci. 445(2-3): 209-23 (2000).


Biological and Medical Aspects

The immunofluorescent microscopy registration of DNA repair synthesis focal foci in human cells in short time period after UV-irradiation.
Soloveva, L.V., Svetlova, M.P., Pleskach, N.M., Hanawalt, P., Tomilin, N.V., Dokl. Akad. Nauk 367(3): 420-1 (1999).

Proton binding is part of protein relaxation of flash-excited reaction center from photosynthetic bacteria Rhodobacter sphaeroides.
Turzo, K., Laczko, G., Maroti, P., Isr. J. Chem. 39(3-4): 447-55 (1999).

Mechanistic studies on the repair of a novel DNA photolesion: The spore photoproduct.
Mehl, R.A., Begley, T.P., Org. Lett. 1(7): 1065-6 (1999).

Modelling of light modulation processes in D85N bacteriorhodopsin.
Roy, S., Reddy, K.P.J., Curr. Sci. 78(2): 184-8 (2000).

The role of dark states in the photodynamics of the green fluorescent protein examined with two-color fluorescence excitation spectroscopy.
Jung, G., Mais, S., Zumbusch, A., Brauchle, C., J. Phys. Chem. A 104(5): 873-7 (2000).

Exciton relaxation and polaron formation in LH2 at low temperature.
Polivka, T., Pullerits, T., Herek, J.L., Sundstrom, V., J. Phys. Chem. B 104(5): 1088-96 (2000).

The synthesis and activity of oxazole and thiazole analogues of urocanic acid.
Millan, D.S., Prager, R.H., Brand, C., Hart, P.H., Tetrahedron 56(5): 811-6 (2000).


Solar Energy

Surface and bulk passivation of GaAs solar cell on Si substrate by H2 + PH3 plasma.
Wang, G., Ogawa, T., Umeno, M., Soga, T., Jimbo, T., Appl. Phys. Lett. 76(6): 730-2 (2000).

A dye sensitized TiO2 photovoltaic cell constructed with an elastomeric electrolyte.
Nogueira, A.F., De Paoli, M.A., Sol. Energy Mater. Sol. Cells 61(2): 135-41 (2000).


Industrial and Environmental Applications

Characterization and application of radiation grafted membranes in waste treatment.
Hegazy, E.S.A., Abdel-Rehim, H., Ali, A.M.I., Nowier, H.G., Aly, H.F., Czech. J. Phys. 50(2): 297-308 (2000).

The ionising radiation effect on physico-chemical properties of organosilicon oils.
Krasnopyorova, A.P., Czech. J. Phys. 50(2): 309-14 (2000).

Inhibition of chloride pitting corrosion of Zircaloy-4 alloy in highly radioactive water by radiolytic nitrate and hydrogen peroxide.
Bellanger, G., Rameau, J.J., J. Mater. Sci. 35(7): 1759-71 (2000).

Selected ion flow tube studies of air plasma cations reacting with alkylbenzenes.
Arnold, S.T., Dotan, I., Williams, S., Viggiano, A.A., Morris, R.A., J. Phys. Chem. A 104(5): 928-34 (2000).

Mechanism of the reaction of CH3SO with NO2 in relation to atmospheric oxidation of dimethyl sulfide: Experimental and theoretical study.
Kukui, A., Bossoutrot, V., Laverdet, G., Le Bras, G., J. Phys. Chem. A 104(5): 935-46 (2000).

Environmental photochemistry: Quantitative adsorption and FTIR studies during the TiO2-photocatalyzed degradation of Orange II.
Lucarelli, L., Nadtochenko, V., Kiwi, J., Langmuir 16(3): 1102-8 (2000).

Intense pulsed ion beam sources for industrial applications.
Zhao, W.J., Remnev, G.E., Yan, S., Opekounov, M.S., Le, X.Y., Matvienko, V.M., Han, B.X., Xue, J.M., Wang, Y.G., Rev. Sci. Instrum. 71(2): 1045-8 (2000).


Theoretical Studies

Computational prediction of the enantioselectivity of a solid-state photoreaction.
Garcia-Garibay, M.A., Houk, K.N., Keating, A.E., Cheer, C.J., Leibovitch, M., Scheffer, J.R., Wu, L.C., Org. Lett. 1(8): 1279-81 (1999).

Facile autoxidation of 2-(4-hydroxyphenyl)-3,3-dimethylmethylenecyclopropane. The radical stabilizing ability of the phenoxide group.
Creary, X., Wolf, A., Miller, K., Org. Lett. 1(10): 1615-8 (1999).

Energetics of the splitting of pyrimidine photodimers induced by electron transfer to rhodium(III) complexes. A quantum chemical study.
Rak, J., Voityuk, A.A., Rosch, N., Int. J. Quantum Chem. 77(1): 128-38 (2000).

Excitation energy trapping by the reaction center of Rhodobacter sphaeroides.
Damjanovic, A., Ritz, T., Schulten, K., Int. J. Quantum Chem. 77(1): 139-51 (2000).

Local atomic and orbital reactivity indices from density functional calculations for hydrogen-bonded 1,2-dihydroxybenzene.
Vedernikova, I., Proynov, E., Salahub, D., Haemers, A., Int. J. Quantum Chem. 77(1): 161-73 (2000).

Vibrational model for electron transfer in the limit of small activation barriers.
Klimkans, A., Larsson, S., Int. J. Quantum Chem. 77(1): 211-20 (2000).

Modeling donor/acceptor interactions: Combined roles of theory and computation.
Newton, M.D., Int. J. Quantum Chem. 77(1): 255-63 (2000).

Molecular photoexcitation in a medium: Density operator approach.
Micha, D.A., Yi, Z.G., Int. J. Quantum Chem. 77(1): 367-75 (2000).

Theoretical characterization of a multifunctional electrooptical molecular device: Photochemical ring-opening mechanism of indolinospirobenzopyran.
Broo, A., Int. J. Quantum Chem. 77(1): 454-67 (2000).

On the theory of electron transfer reactions at semiconductor electrode/liquid interfaces.
Gao, Y.Q., Georgievskii, Y., Marcus, R.A., J. Chem. Phys. 112(7): 3358-69 (2000).

Influence of a polar ambient medium on multiphoton resonances in dipole molecules.
Kovarskii, V.A., Prepelitsa, O.B., J. Exp. Theor. Phys. 90(1): 24-9 (2000).

Recombination accompanied by teleportation of "quantum entanglement".
Ilichev, L.V., J. Exp. Theor. Phys. 90(1): 222-6 (2000).

Solvent and intramolecular effects on the absorption spectrum of betaine-30.
Lobaugh, J., Rossky, P.J., J. Phys. Chem. A 104(5): 899-907 (2000).

Intensity dependence of the back reaction and transport of electrons in dye-sensitized nanacrystalline TiO2 solar cells.
Fisher, A.C., Peter, L.M., Ponomarev, E.A., Walker, A.B., Wijayantha, K.G.U., J. Phys. Chem. B 104(5): 949-58 (2000).

Complete basis set, G1, G2, G2MP2, and density functional theory computational studies of the lowest energy triplet potential energy surface for acetylene-vinylidene rearrangement.
Jursic, B.S., THEOCHEM 496: 83-93 (2000).

A computational study of bond dissociation enthalpies and hydrogen abstraction energy barriers in model urethanes.
Berry, R.J., Wilson, A.L., Schwartz, M., THEOCHEM 496: 121-9 (2000).

Complete basis set and gaussian ab initio exploration of singlet and triplet potential energy surface for molecular systems built from one hydrogen, oxygen and nitrogen atoms.
Jursic, B.S., THEOCHEM 496: 207-12 (2000).


Reviews

Femtosecond intramolecular double proton transfer in solution.
Glasbeek, M., Isr. J. Chem. 39(3-4): 301-7 (1999).

Synthetic uses of orthoquinone monoketals and their orthoquinol variants. A review.
Quideau, S., Pouysegu, L., Org. Prep. Proced. Int. 31(6): 617 (1999).


E-mail: ndrlrcdc.1@nd.edu
Author: K.P. Madden
Created: 7/2/97 Updated: 6/2/2000