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NDRL Radiation Chemistry |
Recent Papers in Radiation and Photochemistry |
06/23/05 |
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Photoionization dynamics of an aqueous iodide solution: the temperature
dependence.
Iglev, H., Trifonov, A., Thaller, A., Buchvarov, I., Fiebig, T., Laubereau, A.,
Chem. Phys. Lett. 403(1-3): 198-204 (2005).
Temperature effect on the competition between the processes of
9-cyanophenanthrene exciplex decay.
Dogadkin, D.N., Dolotova, E.V., Soboleva, I.V., Kuzmin, M.G., Plyusnin, V.F.,
Pozdnyakov, I.P., Grivin, V.P., High Energy Chem. (Transl. of Khim. Vys.
Energ.) 39(1): 20-5 (2005).
Ultrafast time-resolved study of photophysical processes involved in the
photodeprotection of p-hydroxyphenacyl caged phototrigger
compounds.
Ma, C.S., Kwok, W.M., Chan, W.S., Zuo, P., Kan, J.T.W., Toy, P.H., Phillips,
D.L., J. Am. Chem. Soc. 127(5): 1463-72 (2005).
Dynamics of photoinduced processes in adenine and thymine base pairs.
Samoylova, E., Lippert, H., Ullrich, S., Hertel, I.V., Radloff, W., Schultz,
T., J. Am. Chem. Soc. 127(6): 1782-6 (2005).
Triplet-state formation along the ultrafast decay of excited singlet
cytosine.
Merchan, M., Serrano-Andres, L., Robb, M.A., Blancafort, L., J. Am. Chem.
Soc. 127(6): 1820-5 (2005).
Reactions of superoxide anion radical with antioxidants and their use in
voltammetry.
Ziyatdinova, G.K., Gilmetdinova, D.M., Budnikov, G.K., J. Anal. Chem.
(Transl. of Zh. Anal. Khim.) 60(1): 49-52 (2005).
Photogeneration of free charge carriers in the donor-acceptor complex
TBPDA•(C60)2.
Lopatin, D.V., Rodaev, V.V., Umrikhin, A.V., Konarev, D.V., Litvinov, A.L.,
Lyubovskaya, R.N., J. Mater. Chem. 15(6): 657-60 (2005).
Time-resolved resonance Raman investigation and ab initio calculations of
the T1-state structure of thiocoumarin.
Burdzinski, G., Buntinx, G., Poizat, O., Lapouge, C., J. Mol. Struct.
735-36: 115-22 (2005).
Generation of thiyl radicals by the photolysis of
5-iodo-4-thiouridine.
Wenska, G., Taras-Goslinska, K., Skalski, B., Hug, G.L., Carmichael, I.,
Marciniak, B., J. Org. Chem. 70(3): 982-8 (2005).
Absorption and emission study of 2′,7′-difluorofluorescein and its
excited-state buffer-mediated proton exchange reactions.
Orte, A., Crovetto, L., Talavera, E.M., Boens, N., Alvarez-Pez, J.M., J.
Phys. Chem. A 109(5): 734-47 (2005).
ERRATUM: Photochemistry of diiodomethane in solution studied by ferntosecond
and nanosecond laser photolysis. Formation and dark reactions of the
CH2I-I isomer photoproduct and its role in cyclopropanation of
olefins (Vol 108, pg 237, 2004).
Tarnovsky, A.N., Sundstrom, V., Akesson, E., Pascher, T., J. Phys. Chem.
A 109(5): 954 (2005).
Synthesis and photophysical studies of donor-acceptor substituted
tetrahydropyrenes.
Sumalekshmy, S., Gopidas, K.R., New J. Chem. 29(2): 325-31
(2005).
A comparison between the photophysical and photosensitising properties of
tetraphenyl porphycenes and porphyrins.
Rubio, N., Prat, F., Bou, N., Borrell, J.I., Teixido, J., Villanueva, A.,
Juarranz, A., Canete, M., Stockert, J.C., Nonell, S., New J. Chem.
29(2): 378-84 (2005).
On-line measurement of gamma radiation-induced absorption in
A3+-codoped PbWO4:Mo crystals.
Sulc, M., Nikl, M., Vognar, M., Bohacek, P., Mikes, P., Kobayashi, M., Usuki,
Y., Nucl. Instrum. Methods Phys. Res., Sect. A 537(1-2): 446-8
(2005).
Time-resolved pH jump study of photochemical cleavage and release of
carboxylic acids from [alpha]-keto amides.
Ma, C.C., Steinmetz, M.G., Kopatz, E.J., Rathore, R., Tetrahedron Lett.
46(6): 1045-8 (2005).
Reaction of vinyl radical with oxygen: A matrix isolation infrared
spectroscopic and theoretical study - art. no. 014511.
Yang, R.J., Yu, L., Jin, X., Zhou, M.F., Carpenter, B.K., J. Chem. Phys.
122(1): 14511 (2005).
Structure of the S1 state of diphenylacetylene as studied by
time-resolved CARS and infrared spectroscopy.
Nomoto, T., Ishibashi, T., Okamoto, H., Hamaguchi, H., J. Mol. Struct.
735-36: 197-202 (2005).
Infrared measurements of organic radical anions in solution using
mid-infrared optical fibers and spectral analyses based on density functional
theory calculations.
Sakamoto, A., Kuroda, M., Harada, T., Tasumi, M., J. Mol. Struct.
735-36: 3-9 (2005).
Photoisomerization and photocyclization of 3,5-cyclohexadiene-1,2-diimine
and its methyl-substituted derivatives in low-temperature argon matrices.
Ujike, K., Akai, N., Kudoh, S., Nakata, M., J. Mol. Struct.
735-36: 335-42 (2005).
High-dose neutron irradiation of MgAl2O4 spinel:
effects of post-irradiation thermal annealing on EPR and optical
absorption.
Ibarra, A., Bravo, D., Lopez, F.J., Garner, F.A., J. Nucl. Mater.
336(2-3): 156-62 (2005).
Matrix isolation and theoretical study of the photochemical reaction of
CrCl2O2 with chloroethenes.
Antle, K.A., Ault, B.S., J. Phys. Chem. A 109(5): 947-53
(2005).
Radiation damage of REAlO3: Ce3+(RE = Y, Lu)
scintillators under [gamma] and neutron irradiation.
Baccaro, S., Cecilia, A., Venezia, A., Fedorov, A., Korzhik, M.V., Barisevich,
A., Domenev, V., Nucl. Instrum. Methods Phys. Res., Sect. A
537(1-2): 431-4 (2005).
New benzopyranocarbazoles: synthesis and photochromic behaviour.
Oliveira, M.M., Salvador, M.A., Coelho, P.J., Carvalho, L.M.,
Tetrahedron 61(7): 1681-91 (2005).
Ground vs. excited state interaction in ruthenium-thienyl dyads:
implications for through bond interactions in multicomponent systems.
Henry, W., Browne, W.R., Ronayne, K.L., O'Boyle, N.M., Vos, J.G., McGarvey,
J.J., J. Mol. Struct. 735-36: 123-34 (2005).
Intramolecular charge-transfer interactions in [pi]-extended
tetrathiafulvalene derivatives.
Aqad, E., Lakshmikantham, M.V., Cava, M.P., Metzger, R.M., Khodorkhovsky, V.,
J. Org. Chem. 70(3): 768-75 (2005).
Heats of formation of the propionyl ion and radical and 2,3-pentanedione by
threshold photoelectron photoion coincidence spectroscopy.
Kercher, J.P., Fogleman, E.A., Koizumi, H., Sztaray, B., Baer, T., J. Phys.
Chem. A 109(5): 939-46 (2005).
Substrate modulation of the properties and reactivity of the oxy-ferrous and
hydroperoxo-ferric intermediates of cytochrome P450cam as shown by
cryoreduction-EPR/ENDOR spectroscopy.
Davydov, R., Perera, R., Jin, S.X., Yang, T.C., Bryson, T.A., Sono, M., Dawson,
J.H., Hoffman, B.M., J. Am. Chem. Soc. 127(5): 1403-13 (2005).
ESR investigation of a stable trapped hydrogen atom in X-ray-irradiated
[beta]-tricalcium phosphate at room temperature.
Nakashima, K., Yamauchi, J., J. Am. Chem. Soc. 127(6): 1606-7
(2005).
"Separated" versus "contact" ion-pair structures in solution from their
crystalline states: Dynamic effects on dinitrobenzenide as a mixed-valence
anion.
Lu, J.M., Rosokha, S.V., Lindeman, S.V., Neretin, I.S., Kochi, J.K., J. Am.
Chem. Soc. 127(6): 1797-809 (2005).
Radical cation of a trimethylenemethane with a nondegenerate ground
state.
Bally, T., Maltsev, A., Gerson, F., Frank, D., de Meijere, A., J. Am. Chem.
Soc. 127(6): 1983-8 (2005).
Optical properties of pristine and [gamma]-irradiated Sm doped borosilicate
glasses.
Malchukova, E., Boizot, B., Ghaleb, D., Petite, G., Nucl. Instrum. Methods
Phys. Res., Sect. A 537(1-2): 411-4 (2005).
On the scavenging of vibrationally excited methyl radicals by oxygen in the
IR multiphoton excitation of diethylsilane.
Zhitneva, G.P., Zhitnev, Y.N., High Energy Chem. (Transl. of Khim. Vys.
Energ.) 39(1): 44-6 (2005).
New [4+4] photodimerization of 5-chloro-2-pyridone to the
meso-cis-syn dimer as an inclusion complex with
1,2,4,5-benzenetetracarboxylic acid.
Hirano, S., Toyota, S., Toda, F., Mendeleev Commun. (6): 247-9 (2004).
The photochemistry of optically active (E)-cyclooctene: lamp
versus laser.
Gao, F., Li, R.H., Compton, R.N., Pagni, R.M., Mendeleev Commun. (6):
297-9 (2004).
Alkene-arene meta photocycloadditions with a four-carbon-atom tether:
Efficient approach toward the polycyclic ring systems of aphidicolin and
stemodinone.
Boyd, J.W., Greaves, N., Kettle, J., Russell, A.T., Steed, J.W., Angew.
Chem., Int. Ed. Engl. 44(6): 944-6 (2005).
Photoinduced isomerisation of cis-[M(L-S,O)2] (M =
PtII and PdII) complexes of
N,N-diethyl-N′-3,4,5-trimethoxybenzoylthiourea: key to
preparation of the trans isomer.
Hanekom, D., McKenzie, J.M., Derix, N.M., Koch, K.R., Chem. Commun.
(Cambridge) (6): 767-9 (2005).
Sterically hindered carbonyl O-oxides and dioxiranes -
(6-tert-butyl-2,3,4-trimethylphenyl)phenylearbonyl O-oxide and
(6-tert-butyl-2,3,4-trimethylphenyl)phenyldioxirane.
Schroeder, K., Sander, W., Eur. J. Org. Chem. (3): 496-504 (2005).
Synthesis, structure and photoreactivity of several cinnamophane
vinylogs.
Greiving, H., Hopf, H., Jones, P.G., Bubenitschek, P., Desvergne, J.P.,
Bouas-Laurent, H., Eur. J. Org. Chem. (3): 558-66 (2005).
One-pot preparation of [n]ladderanes by [2[pi]+2[pi]]
photocycloaddition.
Hopf, H., Greiving, H., Beck, C., Dix, I., Jones, P.G., Desvergne, J.P.,
Bouas-Laurent, H., Eur. J. Org. Chem. (3): 567-81 (2005).
A comparative analysis of the functionalisation of unactivated cycloalkanes
using alkynes and either sunlight or a photochemical reactor.
Doohan, R.A., Geraghty, N.W.A., Green Chem. 7(2): 91-6 (2005).
Diastereoselectivity in the McLafferty rearrangement of photoionized
3-methyl valeramide.
Loos, J., Schroder, D., Schwarz, H., J. Org. Chem. 70(3): 1073-6
(2005).
Photochemical reactions of W(CO)6 with hydrosilanes: synthesis,
spectroscopic characteristic, and crystal structure of
W(CO)3([eta]6-PhSiHPh2).
Gadek, A., Kochel, A., SzymanskaBuzar, T., J. Organomet. Chem.
690(3): 685-90 (2005).
A photochemical entry to depsides: Synthesis of gustastatin.
Garcia-Fortanet, J., Debergh, J.R., De Brabander, J.K., Org. Lett.
7(4): 685-8 (2005).
Barrelene-semibullvalene rearrangement induced by visible light: synthesis
of dicorannulenosemibullvalene dimethyl dicarboxylate.
Sygula, A., Sygula, R., Rabideaua, P.W., Tetrahedron Lett. 46(7):
1189-92 (2005).
Photoinduced Bergman cycloaromatization of imidazole-fused enediynes.
Zhao, Z.G., Peacock, J.G., Gubler, D.A., Peterson, M.A., Tetrahedron
Lett. 46(8): 1373-5 (2005).
Anomeric [alpha]-azido acid (2-azido-2-deoxy-hept-2-ulopyranosonic acid)
derivatives en route to peptides incorporating sugar amino acids.
Czifrak, K., Szilagyi, P., Somsak, L., Tetrahedron: Asymmetry
16(1): 127-41 (2005).
Electrical conductivity and dielectric properties of
KH2PO4 crystals modified with KBr and NaBr.
Kumari, R.A., Chandramani, R., Indian J. Phys. 79(1): 31-5
(2005).
Exploring long-time response to radiation damage in MgO.
Uberuaga, B.P., Smith, R., Cleave, A.R., Henkelman, G., Grimes, R.W., Voter,
A.F., Sickafus, K.E., Nucl. Instrum. Methods Phys. Res., Sect. B
228: 260-73 (2005).
Irradiation-induced phase transformation in undeformed and deformed NiTi
shape memory thin films by high-energy ion beams.
Lagrange, T., Schaublin, R., Grummon, D.S., Abromeit, C., Gotthardt, R.,
Philos. Mag. 85(4-7): 577-87 (2005).
Effects of electron irradiation in nuclear waste glasses.
Sun, K., Wang, L.M., Ewing, R.C., Weber, W.J., Philos. Mag.
85(4-7): 597-608 (2005).
Radical deoxygenation of 3-azatricyclo[2.2.1.02,6]heptan-5-ols to
1,2-dihydropyridines.
Hodgson, D.M., Jones, M.L., Maxwell, C.R., Ichihara, O., Matthews, I.R.,
Synlett (2): 325-7 (2005).
A new radical-ionic allylation sequence.
Briggs, M.E., Zard, S.Z., Synlett (2): 334-6 (2005).
A radical approach for the construction of the tricyclic core of
stemoamide.
Bogliotti, N., Dalko, P.I., Cossy, J., Synlett (2): 349-51 (2005).
Synthesis of spiro[pyrrolidine-2,2′-adamantane] nitrones and
nitroxides.
Sar, C.P., Osz, E., Jeko, J., Hideg, K., Synthesis (2): 255-9 (2005).
A practical variation on the Leuckart reaction.
Tournier, L., Zard, S.Z., Tetrahedron Lett. 46(6): 971-3
(2005).
Light-induced CVD of titanium dioxide thin films I: Kinetics of
deposition.
Halary-Wagner, E., Bret, T., Hoffmann, P., Chem. Vap. Deposition
11(1): 21-8 (2005).
Light-induced CVD of titanium dioxide thin films II: Thin film
crystallinity.
Halary-Wagner, E., Wagner, F.R., Brioude, A., Mugnier, J., Hoffmann, P.,
Chem. Vap. Deposition 11(1): 29-37 (2005).
Fluorescent light induced Cr(VI) reduction by citrate in the presence of
TiO2 and ferric ions.
Tzou, Y.M., Wang, S.L., Wang, M.K., Colloids Surf., A 253(1-3):
15-22 (2005).
Assembly and charge transfer in hybrid TiO2 architectures using
biotin-avidin as a connector.
Dimitrijevic, N.M., Saponjic, Z.V., Rabatic, B.M., Rajh, T., J. Am. Chem.
Soc. 127(5): 1344-5 (2005).
Photochemical CO2 splitting by metal-to-metal charge-transfer
excitation in mesoporous ZrCu(I)-MCM-41 silicate sieve.
Lin, W.Y., Frei, H., J. Am. Chem. Soc. 127(6): 1610-1 (2005).
Photoinduced charge transfer reaction at surfaces. III.
(HF)2•••Nan/LiF(001)+h[nu](640
nm)→HFF– Nan+/LiF(001)+H(g) - art.
no. 014705.
Dobrin, S., Giorgi, J.B., Naumkin, F.Y., Polanyi, J.C., J. Chem. Phys.
122: 014705 (2005).
Photo-assisted growth of C60 nanowhiskers from solution.
Kobayashi, K., Tachibana, M., Kojima, K., J. Cryst. Growth
274(3-4): 617-21 (2005).
Photoelectron spectroscopy study of irradiation damage and metal-sulfur
bonds of thiol on silver and copper surfaces.
Laiho, T., Leiro, J.A., Heinonen, M.H., Mattila, S.S., Lukkari, J., J.
Electron Spectrosc. Relat. Phenom. 142(2): 105-12 (2005).
To be nano or not to be nano?
Joachim, C., Nat. Mater. 4(2): 107-9 (2005).
The particularity of radiation modification of surface of (Li,Na)F single
crystals for thin scintillation layers and screen preparation.
Koroleva, T.S., Shulgin, B.V., Tcherepanov, A.N., Ivanov, V.Y., Neshov, F.G.,
Kulikauskas, V.S., Pedrini, C., Kidibaev, M.M., Nucl. Instrum. Methods Phys.
Res., Sect. A 537(1-2): 286-90 (2005).
Irradiation-induced phase transformations in carbon nanostructures.
Sun, L.T., Gong, J.L., Wang, Z.X., Zhu, D.Z., Hu, J.G., Lu, R.R., Zhu, Z.Y.,
Nucl. Instrum. Methods Phys. Res., Sect. B 228: 26-30 (2005).
Irradiation-assisted substitution of carbon atoms with nitrogen and boron in
single-walled carbon nanotubes.
Kotakoski, J., Pomoell, J.A.V., Krasheninnikov, A.V., Nordlund, K., Nucl.
Instrum. Methods Phys. Res., Sect. B 228: 31-6 (2005).
Femtosecond dynamics of excited states of CO adsorbed on MgO(001)-(1x1) -
art. no. 045407.
Wang, N.P., Rohlfing, M., Kruger, P., Pollmann, J., Phys. Rev. B
71: 045407 (2005).
Photophysical characteristics of polyaniline with photochromic azobenzene
side groups.
Wei, F., Huang, K., Wan, M.X., Chin. Phys. (Beijing, China)
14(2): 306-10 (2005).
Carbazole derivatives as photosensitizers in cationic photopolymerization of
clear and pigmented coatings.
Sangermano, M., Malucelli, G., Priola, A., Lengvinaite, S., Simokaitiene, J.,
Grazulevicius, J.V., Eur. Polym. J. 41(3): 475-80 (2005).
Pre-irradiation induced grafting of styrene into crosslinked and
non-crosslinked polytetrafluoroethylene films for polymer electrolyte fuel cell
applications. II: Characterization of the styrene grafted films.
Li, J., Sato, K., Ichizuri, S., Asano, S., Ikeda, S., Iida, M., Oshima, A.,
Tabata, Y., Washio, M., Eur. Polym. J. 41(3): 547-55 (2005).
Recent developments in the radiation grafting of
N-vinyl-2-pyrrolidone onto low-density polyethylene with cinnamonitrile
derivatives.
Elassar, A.Z.A., El-Sawy, N.M., J. Appl. Polym. Sci. 95(5):
1189-97 (2005).
Photofabrication of biofiber-based polymer matrix composites.
Kumar, R.N., Hee, K.C., Rozman, H.D., J. Appl. Polym. Sci. 95(6):
1493-9 (2005).
Synthesis of monomer and polymer-bound photosensitizers.
Crivello, J.V., Jang, M., J. Macromol. Sci., Pure Appl. Chem.
A42(1): 1-19 (2005).
Photopolymerization monitoring of ceramic stereolithography resins by FTIR
methods.
Wu, K.C., Halloran, J.W., J. Mater. Sci. 40(1): 71-6 (2005).
Holographic multiplexing using photoinduced anisotropy and surface relief in
azopolymer films.
Ilieva, D., Nedelchev, L., Petrova, T., Tomova, N., Dragostinova, V., Nikolova,
L., J. Opt. A: Pure Appl. Opt. 7(1): 35-9 (2005).
Templating photodimerization of trans-cinnamic acids with
cucurbit[8]uril and [gamma]-cyclodextrin.
Pattabiraman, M., Natarajan, A., Kaanumalle, L.S., Ramamurthy, V., Org.
Lett. 7(4): 529-32 (2005).
Surface tailoring of an ethylene propylene diene elastomeric terpolymer via
plasma-polymerized coating of tetramethyldisiloxane.
Tran, N.D., Choudhury, N.R., Dutta, N.K., Polym. Int. 54(3):
513-25 (2005).
Oxidation of guanosine derivatives by a platinum(IV) complex: Internal
electron transfer through cyclization.
Choi, S., Cooley, R.B., Voutchkova, A., Leung, C.H., Vastag, L., Knowles, D.E.,
J. Am. Chem. Soc. 127(6): 1773-81 (2005).
Redox potentials of chlorophylls and [beta]-carotene in the antenna
complexes of photosystem II.
Ishikita, H., Knapp, E.W., J. Am. Chem. Soc. 127(6): 1963-8
(2005).
Interference, fluctuation, and alternation of electron tunneling in protein
media. 1. Two tunneling routes in photosynthetic reaction center alternate due
to thermal fluctuation of protein conformation.
Nishioka, H., Kimura, A., Yamato, T., Kawatsu, T., Kakitani, T., J. Phys.
Chem. B 109(5): 1978-87 (2005).
Effects of UV irradiation on calf thymus DNA in aqueous solution. A Raman
spectroscopic study.
Ke, W.Z., Zhou, D.F., Wu, J.Z., J. Raman Spectrosc. 36(1): 39-44
(2005).
Ionic liquid crystal as a hole transport layer of dye-sensitized solar
cells.
Yamanaka, N., Kawano, R., Kubo, W., Kitamura, T., Wada, Y., Watanabe, M.,
Yanagida, S., Chem. Commun. (Cambridge) (6): 740-2 (2005).
A highly efficient redox chromophore for simultaneous application in a
photoelectrochemical dye sensitized solar cell and electrochromic
devices.
Nogueira, A.F., Toma, S.H., Vidotti, M., Formiga, A.L.B., de Torresi, S.I.C.,
Toma, H.E., New J. Chem. 29(2): 320-4 (2005).
Highly efficient light-harvesting organofullerenes.
Gomez, R., Segura, J.L., Martin, N., Org. Lett. 7(4): 717-20
(2005).
Phenylene-ethynylene/phenylene-vinylene hybrid polymers: optical and
electrochemical characterization, comparison with poly
[2-methoxy-5-(3′,7′-dimethyloctyloxy)-1,4-phenylene vinylene] and application
in flexible polymer solar cells.
AlIbrahim, M., Konkin, A., Roth, H.K., Egbe, D.A.M., Klemm, E., Zhokhavets, U.,
Gobsch, G., Sensfuss, S., Thin Solid Films 474(1-2): 201-10
(2005).
Electron beam curing of epoxy resin E-44.
Gao, C.L., Guo, D.Z., Xie, L.Q., Gaodeng Xuexiao Huaxue Xuebao
26(2): 346-8 (2005).
Some thoughts on the mechanisms of in-reactor corrosion of zirconium
alloys.
Cox, B., J. Nucl. Mater. 336(2-3): 331-68 (2005).
Resonators with integrated CMOS circuitry for mass sensing applications,
fabricated by electron beam lithography.
Ghatnekar-Nilsson, S., Forsen, E., Abadal, G., Verd, J., Campabadal, F.,
Perez-Murano, F., Esteve, J., Barniol, N., Boisen, A., Montelius, L.,
Nanotechnology 16(1): 98-102 (2005).
Investigation of long-period fiber gratings induced by high-intensity
femtosecond UV laser pulses.
Kalachev, A.I., Pureur, V., Nikogosyan, D.N., Opt. Commun.
246(1-3): 107-15 (2005).
Atom probe tomography of radiation-sensitive KS-01 weld.
Miller, M.K., Russell, K.F., Sokolov, M.A., Nanstad, R.K., Philos. Mag.
85(4-7): 401-8 (2005).
Atomic-level observation with three-dimensional atom probe of the solute
behaviour in neutron-, ion- or electron-irradiated ferritic alloys.
Pareige, P., Radiguet, B., Ummeich-Brangier, R., Barbu, A., Zabusov, O.,
Kozodaev, M., Philos. Mag. 85(4-7): 429-41 (2005).
Role of irradiated microstructure and microchemistry in irradiation-assisted
stress corrosion cracking.
Was, G.S., Busby, J.T., Philos. Mag. 85(4-7): 443-65 (2005).
Irradiation-induced vacancy and Cu aggregations in Fe-Cu model alloys of
reactor pressure vessel steels: state-of-the-art positron annihilation
spectroscopy.
Hasegawa, M., Tang, Z., Nagai, Y., Chiba, T., Kuramoto, E., Takenaka, M.,
Philos. Mag. 85(4-7): 467-78 (2005).
Characterization and modelling of helium bubbles in self-irradiated
plutonium alloys.
Schwartz, A.J., Wall, M.A., Zocco, T.G., Wolfer, W.G., Philos. Mag.
85(4-7): 479-88 (2005).
Monte Carlo simulations of segregation and precipitation in alloys under
irradiation.
Soisson, F., Philos. Mag. 85(4-7): 489-95 (2005).
Ab initio calculations of some atomic and point defect interactions
involving C and N in Fe.
Becquart, C.S., Domain, C., Foct, J., Philos. Mag. 85(4-7):
533-40 (2005).
Comparison between three complementary approaches to simulate "large"
fluence irradiation: application to electron irradiation of thin foils.
Barbu, A., Becquart, C.S., Bocquet, J.L., Torre, J.D., Domain, C., Philos.
Mag. 85(4-7): 541-7 (2005).
Post-irradiation annealing of small defect clusters.
Busby, J.T., Sowa, M.M., Was, G.S., Simonen, E.P., Philos. Mag.
85(4-7): 609-17 (2005).
Effect of proton and Ne irradiation on the microstructure of Zircaloy
4.
Zu, X.T., Sun, K., Atzmon, M., Wang, L.M., You, L.P., Wan, F.R., Busby, J.T.,
Was, G.S., Adamson, R.B., Philos. Mag. 85(4-7): 649-59 (2005).
Hardening and microstructure evolution in proton-irradiated model and
commercial pressure-vessel steels.
Was, G.S., Hash, M., Odette, R.G., Philos. Mag. 85(4-7): 703-22
(2005).
Effects of irradiation on the microstructure and mechanical properties of
nanostructured materials.
Nita, N., Schaeublin, R., Victoria, M., Valiev, R.Z., Philos. Mag.
85(4-7): 723-35 (2005).
Irradiation-induced stacking fault tetrahedra in fcc metals.
Schaublin, R., Yao, Z., Baluc, N., Victoria, M., Philos. Mag.
85(4-7): 769-77 (2005).
Theoretical study on the reaction of HO2 radical with
NO2 by density functional theory method.
Bai, H.T., Huang, X.R., Wei, Z.G., Li, J.L., Sun, J.Z., Huaxue Xuebao
63(3): 196-202 (2005).
Density functional theory study on the thermodynamic properties of
aminophenols.
Gomes, J.R.B., Da Silva, M.A.V.R., Int. J. Quantum Chem. 101(6):
860-8 (2005).
High-level ab initio studies of unimolecular dissociation of the
ground-state N3 radical - art. no. 014106.
Zhang, P., Morokuma, K., Wodtke, A.M., J. Chem. Phys. 122: 014106
(2005).
Quantum and dynamical effects of proton donor-acceptor vibrational motion in
nonadiabatic proton-coupled electron transfer reactions - art. no.
014505.
Soudackov, A., Hatcher, E., Hammes-Schiffer, S., J. Chem. Phys.
122: 014505 (2005).
Addition of carbon-centered radicals to double bonds: Influence of the
alkene structure.
Lalevee, J., Allonas, X., Fouassier, J.P., J. Org. Chem. 70(3):
814-9 (2005).
Method for the evaluation of the reorganization energy of electron transfer
reactions produced under restricted geometry conditions.
Lopez-Cornejo, P., Hernandez, M., Perez-Tejeda, P., Perez, F., Prado-Gotor, R.,
Sanchez, F., J. Phys. Chem. B 109(5): 1703-7 (2005).
Effect of stacking and redox state on optical absorption spectra of
melanins-comparison of theoretical and experimental results.
Stark, K.B., Gallas, J.M., Zajac, G.W., Golab, J.T., Gidanian, S., McIntire,
T., Farmer, P.J., J. Phys. Chem. B 109(5): 1970-7 (2005).
Developing pair potentials for simulating radiation damage in complex
oxides.
Thomas, B.S., Marks, N.A., Begg, B.D., Nucl. Instrum. Methods Phys. Res.,
Sect. B 228: 288-92 (2005).
Computational model of alpha-decay damage accumulation in zircon.
Heinisch, H.L., Weber, W.J., Nucl. Instrum. Methods Phys. Res., Sect. B
228: 293-8 (2005).
The reaction of triplet nitrenes with oxygen: A computational study.
Liu, J., Hadad, C.M., Platz, M.S., Org. Lett. 7(4): 549-52
(2005).
Comparison of algorithms for multiscale modelling of radiation damage in
Fe-Cu alloys.
Malerba, L., Becquart, C.S., Hou, M., Domain, C., Philos. Mag.
85(4-7): 417-28 (2005).
Segregation at grain boundaries: from equilibrium to irradiation induced
steady states.
Nastar, M., Philos. Mag. 85(4-7): 641-7 (2005).
Effects of elastic interactions on post-cascade radiation damage evolution
in kinetic Monte Carlo simulations.
Hudson, T.S., Dudarev, S.L., Caturlas, M.J., Sutton, A.P., Philos. Mag.
85(4-7): 661-75 (2005).
Multi-scale simulations of the effects of irradiation-induced voids and
helium bubbles on the mechanical properties of aluminium.
Jing, P., Khrasihi, T., Young, J.A., Wirths, B.D., Philos. Mag.
85(4-7): 757-67 (2005).
Universal attosecond response to the removal of an electron - art. no.
033901.
Breidbach, J., Cederbaum, L.S., Phys. Rev. Lett. 9403(3): 3901
(2005).
Molecular mechanics-assisted crystal engineering of solid state
photoreactions: application to the Yang photocyclization of
[alpha]-1-norbornylacetophenone derivatives.
Botoshansky, M., Braga, D., Kaftory, M., Maini, L., Patrick, B.O., Scheffer,
J.R., Wang, K.Y., Tetrahedron Lett. 46(7): 1141-4 (2005).
Cyclobutane biomolecules: Synthetic approaches to amino acids, peptides and
nucleosides.
Ortuno, R.M., Moglioni, A.G., Moltrasio, G.Y., Curr. Org. Chem.
9(3): 237-59 (2005).