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Available online at www.sciencedirect.com science @)oinecr: CHEMICAL PHYSICS LETTERS ELSEVIE R Chemical Physics Letters 399 (2004) 539-549 www.elsevier.com/locate cplett Author Index to Volume 399 Abbet, S., see Worz, A.S. 399 (2004) 266 Achiba, Y., see Kodama, T. 399 (2004) 94 Allouchi, H., see Ceolin, R. 399 (2004) 40] Alsenoy, C.V., see Van Droogenbroeck, J. 399 (2004) 516 Andreazza, C., see Zhao, D. 399 (2004) ‘$o 9a9 Andreazza, P., see Zhao, D. 399 (2004) Andrews, C.M., see Maris, A. 399 (2004) 39 Atanasov, M., E. Jan Baerends, P. Baettig, R. Bruyndonckx, C. Daul, C. Rauzy and M. Zbiri, The calculation of ESR parameters by density functional theory: the g- and A-tensors of Co(acacen) 399 (2004) 433 Antonietti, J.-M., see Worz, A.S. 399 (2004) 266 Aoki, H., see Okada, S. 399 (2004) 157 Arita, R., see Okada, S. 399 (2004) 157 Arteca, G.A. and Z. Li, Effect of proline kinks on the mechanical unfolding of a-helices 399 (2004) 496 Aschi, M., see Zazza, C. 399 (2004) Bae, S.Y., see Choi, H.C. 399 (2004) Baer, M., see Vibok, A. 399 (2004) Baettig, P., see Atanasov, M. 399 (2004) Balasubramanian, K., see Chaudhuri, D. 399 | 2004) Ballester, P., see Garau, C. 399 ( 2004) 99) Bandyopadhyay, A., see Chakrabarti, S. 399 | 2004) 120 Bandyopadhyay, A., see Majee, S.K. 399 ( 2004) 284 Barinovs, G. and M.C. van Hemert, CH* potential energy curves and photodissociation cross- section 399 (2004) 406 Barone, V., see Carbonniere, P. 399 (2004) 226 Barrio, M., see Céolin, R. 399 (2004) 401 Bencivenni, L. , see Zazza, C. 399 (2004) 184 Bezugly, V. and U. Birkenheuer, Multireference configuration interaction treatment of excited-state 57 electron correlation in periodic systems: the band structure of trans-polyacetylene 399 (2004) Bhattacharyya, K., see Roy, D. 399 (2004) 147 Birkenheuer, U., see Bezugly, V. 399 (2004) = Blockhuys, F., see Yan Droogenbroeck, J. 399 (2004) 516 Bojarski, P., see Synak, A. 399 (2004) 114 Borgoo, A., M. Godefroid, K.D. Sen, F. De Proft and P. Geerlings, Quantum similarity of atoms: a numerical Hartree-Fock and Information Theory approach 399 (2004) 363 Botta, C., see Miozzo, L. 399 (2004) 152 Boxford, W.E., J.K. Pearce and C.E.H. Dessent, Ionic fragmentation versus electron detachment in isolated transition metal complex dianions 399 (2004) 465 Bronshtein, M.D., R.R. Nazmutdinov and W. Schmickler, An approach to optimised calculations of the potential energy surfaces for the case of electron transfer reactions at a metal/solution interface 399 (2004) 307 Bruyndonckx, R., see Atanasov, M. 399 (2004) 2e2e) doi: 10.1016/S0009-2614(04)01739-7 540 futhor Index | Chemical Physics Letters 399 (2004) 539-549 Cai, M.-Q., Z. Yin, M.-S. Zhang and Y.-Z. Li, Electronic structure of the ferroelectric-layered perovskite bismuth titanate by ab initio calculation within density functional theory 399 (2004) 89 ‘aihonW.g, ,se e Xiangfeng,C 399 (20044)6 1 ‘aminatiW,. , see Maris,A . 399 (2004) 39 ‘anS.u, stee Coout,inh o, K. 399 (2004) 534 ‘arbonniere, P. and V. Barone, Performances of different density functionals in the computation of vibrational spectra beyond the harmonic approximation 399 (20042)2 6 ‘arravetta, V., see Piancastelli, M.N. 399 (20044)2 6 ‘éolin, R., D.O. Lopez, M. Barrio, J.L. Tamarit, P. Espeau, B. Nicolai, H. Allouchi and R. Papoular, Solid state studies on Coy solvates formed with n-alcanes: orthorhombic Co * 2/3 n- nonane 399 (2004) 401 ‘erminara, M., see Miozzo, L. 399 (2004) 152 ‘hafiq, S., see Guermoune,A . 399 (2004) 190 ‘hakrabarti, S., A. Pradhan, A. Bandyopadhyay, A. Ray, B. Ray, N. Kar and P.N. Ghosh, Velocity-selective resonance dips in the probe absorption spectra of Rb D, transitions induced by a pump laser 399 (20041)2 0 Chan, W.K., see Djurisic, A.B. 399 (2004) 446 Chan, M.Y., see Gao, D.Q. 399 (2004) 337 Chang, C.H., see Yeh, Y.L. 399 (20044)4 0 Chang, Y.-H., see Lin, H.-N. 399 (2004) 422 Chartkunchand, K.C., see Tang, X.-P. 399 (2004) 456 Chattopadhyaya, S. and K.K. Das, Electronic spectrum of SiSe": a MRDCI study 399 (2004) 140 Chaudhuri, D. and K. Balasubramanian, Electronic structure and spectra of plutonyl complexes and their hydrated forms: PuO,CO, and PuO,CO, - nH,0 (n = 1,2) 399 (2004) 67 Cheah, K.W., see DjurisSicA,. B 399 (20044)4 6 Chen, C., see Lin, Z. 399 (20041)2 5 Chen, K.H., see Dhara, S. 399 (20043)5 4 Chenmou, Z., see Xiangfeng, C. 399 (20044)6 1 Cheung, C.H., see Djurisic, A.B. 399 (20044)4 6 Choi, H.C., S.Y. Kim, W.S. Jang, S.Y. Bae, J. Park, K.L. Kim and K. Kim, X-ray photoelectron spectroscopy studies of double-walled carbon nanotube bundles synthesized using thermal chemical vapor deposition 399 (2004) 255 Chui, P.C., see Djurisic, A.B. 399 (2004) 446 Chyan, C.L., see Yeh, Y.L. 399 (2004) 440 Clark, H.Y., L. Corner, W. Denzer, G. Hancock, A. Hutchinson, M. Islam, R. Peverall and G.A.D. Ritchie, Difference frequency generation in periodically poled lithium niobate and its use in the detection of atmospheric methane 399 (2004) 102 Clotet, A., see Valcarcel. A 399 (2004) 295 Cohen, A.J., Q. Wu and W. Yang, Calculation of nuclear magnetic resonance shielding constants using potential-based methods 399 (2004) 84 Corner, L., see Clark, H.Y. 399 (20041)0 2 Costa, A. , see Garau, C. 399 (20042)2 0 Costa Cabral, B.J., see Coutinho, K. 399 (20045)3 4 Costa Cabral, B.J., see Godinho, $.S.M.C. 399 (20042)0 0 Cousson, A., see Fillaux, F. 399 (20042)8 9 Coutinho, K., B.J. Costa Cabral and S. Canuto, Can larger dipoles solvate less? solute—solvent hydrogen bond and the differential solvation of phenol and phenoxy 399 (2004) 534 Cui, Q., see Zhang, J. 399 (2004) 451 Das, K.K., see Chattopadhyaya, S. 399 (20041)4 0 Daul, C., see Atanasov, M. 399 (20044)3 3 David, C., see Dhara, S. 399 (20043)5 4 Davidson, D.F., see Oehlschlaeger, M.A. 399 (20044)9 0 De Fanis, A., see Piancastelli, M.N. 399 (20044)2 6 De Proft, F., see Borgoo, A. 399 (20043)6 3 Del VittAo.,, s ee W6rz, A.S. 399 (20042)6 6 Author Index | Chemical Physics Letters 399 (2004) 539-549 Deng, F., see Zheng, A. 399 (2004) 172 Denzer, W., see Clark, H.Y. 399 (2004) 102 Deperasinska, I., see Prochorow, J. 399 (2004) 239 Dessent, C.E.H., see Boxford, W.E. 399 (2004) 465 Deya, P.M., see Garau, C. 399 (2004) 220 Dhara, S., B. Sundaravel, T.R. Ravindran, K.G.M. Nair, C. David, B.K. Panigrahi, P. Magudapathy and K.H. Chen, ‘Spillout’ effect in gold nanoclusters embedded in c- Al,O,(000 1) matrix 399 (2004)3 5 Djurisic, A.B., C.Y. Kwong, C.H. Cheung, H.L. Tam, K.W. Cheah, Z.T. Liu, W.K. Chan and P.C. Chui, Near-infrared emission from tris(8-hydroxyquinoline) aluminum based microcavity light emitting diodes 399 (2004) 446 do Couto, P. Cabral, see Godinho, $.S.M.C. 399 (2004) 200 Dong, F.-L., Y. Li and P. Zhang, Mesoscopic simulation study on the orientation of surfactants adsorbed at the liquid/liquid interface 399 (2004) 215 Dong, Y., see Su, L. 399 (2004) 47 Dongli, J., see Xiangfeng, C. 399 (2004) 461 Dreyer, J., see Kozich, V. 399 (20044)8 4 Duesberg, G.S., see Unger, E. 399 (20042)8 0 Dunlap, B.I., see Zope, R.R. 399 (20044)1 7 Ebata, T., see Miyazaki, M. 399 (2004) 412 Egdell, R.G., see Glans, P.-A. 399 (2004) 98 Enriquez, P.A., see Sierra, J.D. 399 (2004) 527 Es-sofi, A., see Guermoune, A. 399 (2004) 190 Espeau, P., see Céolin, R. 399 (2004) 401 Farantos, S.C., S.Y. Lin and H. Guo, A regular isomerization path among chaotic vibrational states of CH,(a! A, ) 399 (2004) 260 Ferguson, M.J., see Meloni, G. 399 (2004) 389 Fillaux, F., A. Cousson and J. Tomkinson Comment on: ‘A symmetric hydrogen bond revisited: potassium hydrogen maleate by variable temperature, variable pressure neutron diffraction and plane-wave DFT methods’ [Chem. Phys. Lett. 381 (2004) 102] 399 (2004) 289 Frontera, A., see Garau, C. 399 (2004) 220 Fujii, A., see Miyazaki, M. 399 (2004) 412 Fujii, R., see Kodama, T. 399 (2004) 94 Gadomski, W. and B. Ratajska-Gadomska, Evolution of water structure in biopolymer solutions during the gelation process 399 (20044)7 1 Gallup, G.A., The structures of c-C4Fg and c-C4F, and the adiabatic electron affinity of c-C4Fx 399 (20042)0 6 Gan, H., H. Liu, Y. Li, Y. Liu, F. Lu, T. Jiu and D. Zhu, Template synthesis and characterization of chiral organic nanotubes and nanowires 399 (2004) 130 Gao, D.Q., M.Y. Chan, S.W. Tong, F.L. Wong, S.L. Lai, C.S. Lee and S.T. Lee, Application of an evaporable fluoro-molecule as an anode buffer layer in organic electroluminescent devices 399 (2004) 33 7 Gao, W., see Zhang, J. 399 (2004) 45 | Garau, C., A. Frontera, D. Quifionero, P. Ballester, A. Costa and P.M. Deya, Cation-n vs anion-n interactions: a complete n-orbital analysis 399 (2004) 220 Geerlings, P., see Borgoo, A. 399 (2004) 363 Geng, H.Z., X.B. Zhang, S.H. Mao, A. Kleinhammes, H. Shimoda, Y. Wu and O. Zhou, Opening and closing of single-wall carbon nanotubes 399 (2004) 109 Ghosh, P.N., see Chakrabarti, S. 399 (2004) 120 Gil, A., see Valcarcel, A. 399 (2004) 295 Giordano, L., see Worz, A.S. 399 (2004) 266 Glans, P.-A., T. Learmonth, C. McGuinness, K.E. Smith, J. Guo, A. Walsh, G.W. Watson and R.G. Egdell, On the involvement of the shallow core 5d level in the bonding in HgO 399 (2004) 98 Godefroid, M., see Borgoo, A. 399 (2004) 363 $42 duthor Index | Chemical Physics Letters 399 (2004) 539-549 Godinho, S.S.M.C., P. Cabral do Couto and B.J. Costa Cabral, Charge separation and charge transfer to solvent in NaCl-water clusters 399 (2004) 200 Gondek, G., see Synak, A 399 (2004) 114 Gong, Q.H., see Wang, X.F. 399 (2004) 230 Gonzalez, M., see Sierra, J.D. 399 (2004) 527 Grady, N.K., N.J. Halas and P. Nordlander, Influence of dielectric function properties on the optical response of plasmon resonant metallic nanoparticles 399 (20041)6 7 Graham, A.P., see Unger, I 399 (20042)8 0 Guan, Q., see Zhang, J 399 (2004) 451 Guermoune, A., A. Jarid, A. Ouassas, S$. Chafiq and A. Es-sofi, DFT and MP2 investigation of the B>H, anion potential energy surtace 399 (20041)9 0 Guo, J., see Glans, P.-A 399 (2004) 98 Guo, H., see Farantos, S.C 399 (20042)6 0 399 (20041)6 7 Halas, N.J., see Grady, N.K. Halasz, G.J., see Vibok, A 399 (2004) 7 Hamaguchi, H., see Takaya, T. 399 (20042)1 0 Hammer, N.1., see Shin, J.-W 399 (20043)4 9 Hancock, G., see Clark, H.Y. 399 (20041)0 2 Hanson, R.K., see Oehlschlaeger, M.A. 399 (20044)9 0 Harano, Y. and M. Kinoshita, Large gain in translational entropy of water is a major driving force in protein folding 399 (20043)4 2 399 (20045)1 2 Haspel, H., see Hodos, M. Hayashi, M., see Yeh, Y.1 399 (20044)4 0 He, Z., see Zhang, J 399 (2004) 451 Headrick, J.M., see Shin, J.-W 399 (20043)4 9 399 (20042)6 6 Heiz, U., see W6rz, A.S 399 (20042)7 6 Hirao, K., see Si, J Hijelte, 1., see Piancastelli, M.N 399 (2004) 426 Hodos, M., E. Horvath, H. Haspel, A. Kukovecz, Z. Konya and I. Kiricsi, Photosensitization of ion-exchangeable titanate nanotubes by CdS nanoparticles 399 (2004) 512 Hoenlein, W., see Unger, I 399 (20042)8 0 Hon, M.-H., see Lin, H.-N 399 (20044)2 2 Horvath, E., see Hodos, M 399 (20045)1 2 Howard, B.J., see Maris, A 399 (2004) 39 399 (2004) 422 Hsu, J.-H., see Lin, H.-N Hu, Y.H. and I Ruckenstein, The BEBO calculation of resonance energies of fullerene cages 399 (20045)0 3 399 (20042)7 6 Hua, B., see Si, J Hui, L., B.-L. Wang, J.L. Wang and G.H. Wang, Evidence ofa melt like supercooled liquid during a solid to liquid transition of titanium nanowire 399 (2004) 20 Hutchinson, A., see Clark, H.Y 399 (2004) 102 Ikemoto, 1., see Kodama, T. 399 (2004) 94 Inukai, J.. M. Wakisaka and K. Itaya, An STM study on the growth process of vapor-deposited hydroquinone adlayers on Rh(1 1 1) and Pt(1 1 1) 399 (2004) 373 Islam, M., see Clark, H.Y 399 (2004) 102 ltaya, K., see Inukai, J 399 (20043)7 3 Ivanovski, G., see Pejov, | 399 (2004) 247 Iwamatsu, M. and ¥ Okabe, Basin hopping with occasional jumping 399 (20043)9 6 Iwata, K. , see Takaya, 1 399 (2004) 210 Jan Baerends, E., see Atanasov, M. 399 (2004) 433 Jang, W.S., see Choi, H.C. 399 (2004) 255 Jarid, A., see Guermoune, A. 399 (20041)9 0 Jasny, J .. see Nosenko, Y. 399 (2004) 33 Jeffries, J.B., see Oehlschlaeger, M.A. 399 (20044)9 0 {uthor Index | Chemical Physics Letters 399 (2004) 539-549 Jiang, J., see Su, L. 399 (2004) Jiu, T., see Gan, H. 399 (2004) Johnson, M.A., see Shin, J.-W. 399 (2004) ; Judai, K., see Worz, A.S. 399 (2004) 2 Kanehira, S., see Si, J. 399 (2004) 2 Kantrasiri, S., see Kheowan, O.-U. 399 (2004) 35 Kar, N., see Chakrabarti, S. 399 (2004) Karmakar, R., see Roy, D. 399 (2004) | Kheowan, O.-U., C. Uthaisar, S. Kantrasiri and $.C. Miller, Hypocycloidal resonance attractor for rigidly rotating spiral waves 399 (2004) 5 Kikuchi, K., see Kodama, T. 399 (2004) Kim, K.L., see Choi, H.C. 399 (2004) Kim, S.Y., see Choi, H.C. 399 (2004) Kim, K., see Choi, H.C. 399 (2004) Kinoshita, M., see Harano, Y. 399 (2004) Kiricsi, I., see Hodos, M. 399 (2004) ‘ Kitajima, M., see Piancastelli, M.N. 399 (2004) Kleinhammes, A., see Geng, H.Z. 399 (2004) Kodama, T., R. Fujii, Y. Miyake, S. Suzuki, H. Nishikawa, I. Ikemoto, K. Kikuchi and Y. Achiba, ‘SC NMR study of Ca@C;3,: the cage structure and the site-hopping motion of a Ca atom inside the cage 399 (2004) Konya, Z., see Hodos, M. 399 (2004) Kozich, V., J. Dreyer and W. Werncke, Vibrational excitation after ultrafast intramolecular proton transfer of TINUVIN: a time-resolved resonance Raman study 399 (2004) 48 Kreupl, F., see Unger, E. Kubicki, A., see Synak, A. 399 (2004) Kukovecz, A., see Hodos, M. 399 (2004) 5 Kulak, L., see Synak, A. 399 (2004) Kuroda, H., see Takaya, T. 399 (2004) 2 Kwiek, P., see Synak, A. 399 (2004) Kwong, C.Y., see Djurisic, A.B. 399 (2004) Lai, S.L., see Gao, D.Q. 399 (2004) ; Learmonth, T., see Glans, P.-A. 399 (2004) Lee, C.S., see Gao, D.Q. 399 (2004) ¢ Lee, D.K., T. Narasimhaswamy and A. Ramamoorthy, PITANSEMA, a low-power PISEMA solid-state NMR experiment 399 (2004) 35 Lee, S.T., see Gao, D.Q. 399 (2004) 33° Lee, M.-H., see Lin, Z. 399 Leszezynski, JBi.s, see Ray, P.C. 399 Leu, 1.-C., see Lin, H.-N. 399 (2004) 422 i, W., see Zhang, J. 399 (2004) 451 i, Z., see Arteca, G.A. 399 (2004) 496 ’., see Gan, H. 399 (2004) 130 .., see Zhang, J. 399 (2004) 451 ’., see Dong, F.-L. 399 (2004) 215 399 (2004) 399 (2004) 399 (2004) i, Y.-Z., see Cai, M.-Q. 399 (2004) Liang, K.-K., see Yeh, Y.L. 399 (2004) 440 Liang, Y., see Tanner, P.A. 399 (2004) 15 Liebau, M., see Unger, E. 399 (2004) 280 Likhtina, I., see Zhao, B. 399 (2004) 392 S44 futhor Index | Chemical Physics Letters 399 (2004) 539-549 Lin, H.-N., Y.-H. Chang, J.-H. Yen, J.-H. Hsu, I.-C. Leu and M.-H. Hon, Selective growth of vertically aligned carbon nanotubes on nickel oxide nanostructures created by atomic force microscope nano-oxidation 399 (2004) 422 Lin, S.Y., see Farantos, S.C. 399 (2004) 260 Lin, S.H1., see Yeh, Y.L. 399 (2004) 440 Lin, Z.. Z. Wang, C. Chen, I-P. Wu and M.-H. Lee, The prospect of beryllium—oxygen group to search for new nonlinear optical crystals 399 (20041)2 5 Liu, Y., see Zhao, D 399 (20045)2 2 Liu, H., see Gan, H. 399 (20041)3 0 Liu, Y., see Gan, H. 399 (20041)3 0 Liu, Z., see Yu, L. 399 (20043)8 4 Liu, C.L., see Wang, X.F 399 (20042)3 0 Liu, Z.T., see Djurisic, A.B. 399 (20044)4 6 Liu, Y.-T., see Sheu, W.-S. 399 (2004) 73 Lombardi, J.R., see Zhao, B. 399 (20043)9 2 Lopez, D.O., see Ceolin, R. 399 (2004) 401 Lu, S., see Yu, L. 399 (20043)8 4 Lu, F., see Gan, H. 399 (20041)3 0 Lu, H., see Zhao, B 399 (20043)9 2 Ma, Y., see Zhang, J. 399 (2004) 451 Ma, J., see Zhao, D. 399 (20045)2 2 Magudapathy, P., see Dhara, S. 399 (2004) 354 Majee, S.K., A. Bandyopadhyay and A.J. Pal, Electrical bistability in molecular films: transition from memory to threshold switching 399 (2004) 284 Mancera, R.L., A new explicit hydration penalty score for ligand—protein interactions 399 (2004) 271 Mao, S.H., see Geng, H.Z. 399 (20041)0 9 Maris, A., W. Caminati, B. Velino, C.M. Andrews and B.J. Howard, Free and pulsed jet rotational spectra and van der Waals motions of ethanol- - -argon 399 (2004) 39 Martin, R.W., see Park, G.H.J. 399 (2004) 196 Matsuo, Y., see Okada, S. 399 (2004) 157 McGuinness, C., see Glans, P.-A. 399 (2004) Meinardi, F., see Miozzo, L. 399 (2004) Meloni, G., M.J. Ferguson, $.M. Sheehan and D.M. Neumark, Probing structural transitions of nanosize silicon clusters via anion photoelectron spectroscopy at 7.9 eV 399 (20043)8 9 Meng, Z., see Si, J. 399 (2004) 276 Mestdagh, J.-M., see Sorgues, S. 399 (2004) 234 Mikami, N., see Miyazaki, M. 399 (2004) 412 Miozzo, L., A. Papagni, M. Cerminara, F. Meinardi, R. Tubino and C. Botta, Sensitised green emission in an electrically active polymer doped with a fluorinated acridine 399 (2004) 152 Miyake, Y., see Kodama, T. 399 (2004) 94 Miyazaki, M., A. Fujii, T. Ebata and N. Mikami, Electronic spectroscopy of benzene—water cluster cations, [Cs5H¢—(H,O),]° (n = 1-4): spectroscopic evidence for phenyl radical formation through size-dependent intracluster proton transfer reactions 399 (2004) 412 Mo, Y., see Yeh, Y.L. 399 (2004) 440 Moad, A.J., see Simpson, G.J. 399 (2004) 26 Mondal, S.K., see Roy, D. 399 (2004) 147 Mordzinski, A., see Nosenko, Y. 399 (2004) 331 Morrison, C.A., see Wilson, C.C. 399 (2004) 292 Miller, S.C., see Kheowan, O.-U. 399 (2004) 506 Nair, K.G.M., see Dhara, S. 399 (2004) 354 Nakamura, E., see Okada, S. 399 (2004) 157 Napolitano, R.d.J., see Ribeiro, E.M.S. 399 (2004) 135 Narasimhaswamy, T., see Lee, D.K. 399 (2004) 359 Nazmutdinov, R.R., see Bronshtein, M.D. 399 (2004) 307 Author Index | Chemical Physics Letters 399 (2004) 539-549 545 Neumark, D.M., see Meloni, G. 399 (20043)8 9 Nicolai, B., see Céolin, R. 399 (20044)0 1 Nishikawa, H., see Kodama, T. 399 (2004) 94 Nordlander, P., see Grady, N.K. 399 (20041)6 7 Noro, T., see Tatewaki, H. 399 (20044)8 0 Nosenko, Y., J. Jasny, M. Pietraszkiewicz and A. Mordzinski, Laser spectroscopy of porphycene derivatives: a search for proton tunneling in 2,7,12,17-tetra-tert-butylporphycene 399 (2004) 3: Oehlschlaeger, M.A., D.F. Davidson, J.B. Jeffries and R.K. Hanson, Ultraviolet absorption cross- sections of hot carbon dioxide 399 (2004) 490 Okabe, Y., see ITwamatsu, M. 399 (2004) 396 Okada, K., see Piancastelli, M.N. 399 (2004) 426 Okada, S., R. Arita, Y. Matsuo, E. Nakamura, A. Oshiyama and H. Aoki, Electronic structure of stacked Ceo shuttlecocks 399 (2004) 157 Okamoto, K., see Todo, M. 399 (2004) 378 Oshiyama, A., see Okada, S. 399 (2004) 157 Ouassas, A., see Guermoune, A. 399 (2004) 190 Pacchioni, G., see W6rz, A.S. 399 (2004) 266 Pal, A.J., see Majee, S.K. 399 (2004) 284 Panayotov, D.A. and J.T. Yates Jr., Charge exchange between TiO, and a _ polyfunctional chemisorbed molecule — the involvement of electrophilic groups 399 (2004) 300 Panigrahi, B.K., see Dhara, S. 399 (2004) 354 Panosyan, H.A., see Park, G.H.J. 399 (2004) 196 Papagni, A., see Miozzo, L. 399 (2004) 152 Papoular, R., see Ceolin, R. 399 (2004) 401 Park, J., see Choi, H.C. 399 (2004) 255 Park, G.H.J., R.W. Martin, D. Sakellariou, A. Pines, A.G. Shahkhatuni, A.A. Shahkhatuni and H.A. Panosyan, Variable angle spinning (VAS) NMR study of solvent effects in liquid crystalline solutions of '*C-iodomethane 399 (2004) 196 Pearce, J.K., see Boxford, W.E. 399 (2004) 465 Pedrys, R., see Rodrigo, K. 399 (2004) 368 Pejov, L. and G. Ivanovski, A gradient-corrected hybrid Hartree—Fock-density functional study of the dihydrogen-bonded phenol—borane-trimethylamine complex 399 (2004) 2 Pereira Gomes, A.S. and L. Visscher, The influence of core correlation on the spectroscopic constants of HAt 399 (2004) Perry, J.M., see Simpson, G.J. 399 (2004) Petrie, S., ScF** and ScHe**: : two highly-charged episodes from the gas-phase adventures of scandium 399 (2004) 47: Peverall, R., see Clark, H.Y. 399 (2004) 102 Piancastelli, M.N., V. Carravetta, I. Hjelte, A. De Fanis, K. Okada, N. Saito, M. Kitajima, H. Tanaka and K. Ueda, Experimental and theoretical study of resonant Auger decay of core- excited NO> 399 (2004) 426 Pietraszkiewicz, M., see Nosenko, Y. 399 (2004) 33 Pines, A., see Park, G.H.J. 399 (20041)9 6 Pradhan, A., see Chakrabarti, S. 399 (2004) 120 Prochorow, J., I. Deperasinska and Y. Stepanenko, Fluorescence excitation and fluorescence spectra of jet-cooled phenanthridine and 7,8-benzoquinoline 399 (2004) 239 Qiu, J., see Si, J. 399 (2004) 276 Quinonero, D., see Garau, C. 399 (2004) 220 Ramamoorthy, A., see Lee, D.K. 399 (2004) 359 Ramsier, R.D., see Stojilovic, N. 399 (2004) 5 3+ Ratajska-Gadomska, B., see Gadomski, W. 399 (2004) 47 | Rauzy, C., see Atanasov, M. 399 (2004) 43 b+s 546 {uthor Index | Chemical Physics Letters 399 (2004) 539-549 Ravindran, T.R., see Dhara, S. 399 (2004) 354 Ray, A., see Chakrabarti, S. 399 (20041)2 0 Ray, P.C. and J. Leszezynski, First hyperpolarizabilities of ionic octupolar molecules: structure function relationships and solvent effects 399 (20041)6 2 Ray, B., see Chakrabarti, S. 399 (20041)2 0 Ribeiro, E.M.S., A.L.M. Zanelatto and R.d.J. Napolitano, Different ground-state potentials for the same ultracold-collision outcome 399 (2004) 135 Ricart, J.M., see Valcarcel, A. 399 (20042)9 5 Ritchie, G.A.D., see Clark, H.Y. 399 (20041)0 2 Rodrigo, K., B. Toftmann, J. Schou and R. Pedrys, Laser-induced ion emission during polymer deposition from a flash-frozen water ice matrix 399 (20043)6 8 Roy, D., R. Karmakar, S.K. Mondal, K. Sahu and K. Bhattacharyya, Excited state proton transfer from pyranine to acetate in a CTAB micelle 399 (2004) 147 Ruckenstein, E., see Hu, Y.H. 399 (2004) 503 Sahu, K., see Roy, D. 399 (20041)4 7 Saito, N., see Piancastelli, M.N. 399 (20044)2 6 Sakellariou, D., see Park, G.H.J. 399 (20041)9 6 Schmickler, W., see Bronshtein, M.D. 399 (20043)0 7 Schou, J., see Rodrigo, K. 399 (20043)6 8 Seidel, R., see Unger, E. 399 (20042)8 0 Seki, S., see Todo, M. 399 (2004) 378 Sen, K.D., see Borgoo, A. 399 (20043)6 3 Shahkhatuni, A.A., see Park, G.H.J. 399 (2004) Shahkhatuni, A.G., see Park, G.H.J. 399 (2004) Sheehan, $.M., see Meloni, G. 399 (2004) : Shen, D., see Zhao, D. 399 (2004) 5 Sheu, W.-S. and Y.-T. Liu, Cavity size effects on charge-transfer-to-solvent precursor excited states of internal halide water clusters X (HO), 399 (2004) Shi, S.Q., see Xu, C.H. 399 (2004) Shimoda, H., see Geng, H.Z. 399 (2004) Shin, J.-W., N.I. Hammer, J.M. Headrick and M.A. Johnson, Preparation and photoelectron spectrum of the ‘missing’ (HO), cluster 399 (2004) Shiu, Y.-J., see Yeh, Y.L. 399 (20044)4 0 .» 06 DU; L. 399 (2004) 47 . Z. Meng, S. Kanehira, J. Qiu, B. Hua and K. Hirao, Multiphoton-induced periodic microstructures inside bulk azodye-doped polymers by multibeam laser interference 399 (2004) Sierra, J.D., P.A. Enriquez, D. Troya and M. Gonzalez, A QCT study of the cross-section, energy and angular distributions of the OH + D, — HOD + D reaction at Ey = 0.28 eV on the YZCL2 surface 399 (20045)2 7 Simpson, G.J., J.M. Perry, A.J. Moad and R.D. Wampler, Uncoupled oscillator model for interpreting second harmonic generation measurements of oriented chiral systems 399 (2004) 26 Smith, K.E., see Glans, P.-A. 399 (2004) 98 Soep, B., see Sorgues, S 399 (20042)3 4 Song, H., see Yu, L. 399 (2004) 384 Sorgues, S., J.-M. Mestdagh and B. Soep, Solvation shift of a conical intersection in clusters of excited tetrakis(dimethyl amino)ethylene with ammonia and acetonitrile molecules 399 (2004) 234 Stepanenko, Y., see Prochorow, J. 399 (2004) 239 Stojilovic, N. and R.D. Ramsier, Effects of electron bombardment on the thermal desorption of cyclic hydrocarbons from zirconium surfaces 399 (2004) 53 Su, L., J. Xu, W. Yang, Y. Dong, J. Jiang, W. Li, G. Zhou, H. Li and J. Si, Study on the reduction of uranium and color centers in U:CaF, single crystals grown by the temperature gradient 399 (2004) 47 technique 399 (2004) 440 pu; ., see Yeh, Y.L. Sun, H. and Z. Li, Rate constant measurement for the OH + OH —> HO + O reaction at 220-320 K using discharge flow/mass spectrometer/resonance fluorescence technique 399 (2004) 33 Author Index | Chemical Physics Letters 399 (2004) 539-549 547 Sundaravel, B., see Dhara, S. 399 (2004) 354 Suzuki, S., see Kodama, T. 399 (2004) 94 Synak, A., G. Gondek, P. Bojarski, L. Kutak, A. Kubicki, M. Szabelski and P. Kwiek, Fluorescence depolarization in the presence of excitation energy migration in partly ordered polymer films 399 (2004) 114 Szabelski, M., see Synak, A. 399 (2004) 114 Tagawa, S., see Todo, M. 399 (2004) 378 Takaya, T., H.H amaguchi, H. Kuroda and K. Iwata, Femtosecond electron transfer dynamics of 9,9’-bianthryl in acetonitrile as studied by time-resolved near-infrared absorption spectroscopy 399 (2004) 210 Tam, H.L., see Djurisic, A.B. 399 (2004) 446 Tamarit, J.L., see Ceolin, R. 399 (2004) 401 Tanaka, H., see Piancastelli, M.N. 399 (2004) 426 Tang, X.-P., K.C. Chartkunchand and Y. Wu, A novel nuclear spin-lattice relaxation filter for separating the free and absorbed water in a matrix of titanate nanotubes 399 (2004) 456 Tanner, P.A., K.L. Wong and Y. Liang, Multiple phase production on doping Er** into «-Al,O, 399 (2004) 15 Tatewaki, H. and T. Noro, Correlation energies for the He isoelectronic sequence with Z = 1-120 from the third-order Douglas—Kroll Hamiltonian 399 (2004) 480 Tersago, K., see Van Droogenbroeck, J. 399 (2004) 516 Thomas, L.H., see Wilson, C.C. 399 (2004) 999 Todo, M., K. Okamoto, S. Seki and S. Tagawa, Formation of benzene trimer radical cation in y- 378 irradiated low temperature 2-methylpentane matrices 399 (2004) Toftmann, B., see Rodrigo, K. 399 (2004) 368 Tomkinson, J., see Fillaux, F. 399 (2004) 289 Tong, S.W., see Gao, D.Q. 399 (2004) 337 Troya, D., see Sierra, J.D. 399 (2004) 527 Tubino, R., see Miozzo, L. 399 (2004) 152 Ueda, K., see Piancastelli, M.N. 399 (2004) 426 Unger, E., M. Liebau, G.S. Duesberg, A.P. Graham, F. Kreupl, R. Seidel and W. Hoenlein, Fluorination of carbon nanotubes with xenon difluoride 399 (2004) 280 Uthaisar, C., see Kheowan, O.-U. 399 (2004) 506 Urry, D.W., The change in Gibbs free energy for hydrophobic association. Derivation and evaluation by means of inverse temperature transitions 399 (2004) Valcarcel, A., A. Gil, J.M. Ricart and A. Clotet, Theoretical study of propene adsorbed on sulphated Pt(1 1 1) 399 (2004) 795 Van Droogenbroeck, J., K. Tersago, C.V. Alsenoy and F. Blockhuys, A systematic study of the effect of correlation, DFT functional and basis set on the structure of Roesky’s ketone 399 (2004) 516 van Hemert, M.C., see Barinovs, G. 399 (2004) 406 Velino, B., see Maris, A. 399 (2004) Vibok, A., G.J. Halasz and M. Baer, Ab initio nonadiabatic coupling elements: the conical intersection between the three lower states of the {HO} system 399 (2004) Visscher, L., see Pereira Gomes, A.S. 399 (2004) Wakisaka, M., see Inukai, J. 399 (2004) : Walsh, A., see Glans, P.-A. 399 (2004) Wampler, R.D., see Simpson, G.J. 399 (2004) Wang, Z., see Lin, Z. 399 (2004) Wang, H., P. Wang and G. Wu, Dixon dip in the highly excited vibrational levels sharing a common approximate quantum number and its destruction under multiple resonances 399 (2004) Wang, P., see Wang, H. 399 (2004) Wang, X.F., Z.W. Wang, J.G. Yu, C.L. Liu, X.J. Zhao and Q.H. Gong, Large and ultrafast third- order optical nonlinearity of GeS.-Ga.S;-CdS chalcogenide glass 399 (2004) Wang, Z.W., see Wang, X.F. 399 (2004) Wang, J.L., see Hui, L. 399 (2004) Wang, B.L., see Hui, L. 399 (2004) &r y 548 futhor Index | Chemical Physics Letters 399 (2004) 539-549 Wang, G.H., see Hui, | 399 (2004) 20 Watson, G.W., see Glans, P.-A. 399 (2004) 98 Werncke, W., see Kozich, V. 399 (2004) 484 Wilson, C.C., L.H. Thomas and C.A. Morrison Reply to comment on: ‘A symmetric hydrogen bond revisited: potassium hydrogen maleate by variable temperature, variable pressure neutron diffraction and plane-wave DFT methods’ [Chem. Phys. Lett. 381 (2004) 102] 292 Wong, K.L., see Tanner, P.A 399 (2004) 15 Wong, F.L., see Gao, D.Q. 399 (2004) 337 Woo, C.H., see Xu, C.H. 399 (2004) 62 Worz, A.S., K. Judai, S. Abbet, J.-M. Antonietti, U. Heiz, A. Del Vitto, L. Giordano and G. Pacchioni, Chemistry on single atoms: key factors for the acetylene trimerization on MgO- supported Rh, Pd, and Ag atoms 399 (2004) 266 Wu, Q., see Cohen, A.J. 399 (2004) 84 Wu, Y., see Geng, H.Z. 399 (2004) 109 Wu, Y., see Tang, X.-P. 399 (2004) 456 Wu, I-P., see Lin, Z. 399 (2004) 125 Wu, G., see Wang, H. 399 (2004) 78 Xiangfeng, C., W. Caihong, J. Dongli and Z. Chenmou, Ethanol sensor based on indium oxide nanowires prepared by carbothermal reduction reaction 399 (2004) 461 Xu, C.H., C.H. Woo and S.Q. Shi, Formation of CuO nanowires on Cu foil 399 (2004) 62 Xu, J., see Su, L. 399 (2004) 47 Yan, Y., see Yeh, Y.L. 399 (2004) 440 Yang, W., see Su, L. 399 (2004) 47 Yang, M.., see Zheng, A. 399 (2004) 172 Yang, L., see Yu, L. 399 (2004) 384 Yang, G., see Yeh, Y.L. 399 (2004) 440 Yang, W., see Cohen, A.J. 399 (2004) 84 Yates Jr., J.T., see Panayotov, D.A. 399 (2004) 300 Ye, C., see Zheng, A. 399 (2004) 172 Yeh, Y.L., C.H. Chang, K.-K. Liang, Y.-J. Shiu, C. Su, M. Hayashi, C.L. Chyan, G. Yang, Y. Mo, Y. Yan and S.H. Lin, Atomic force microscopic and theoretical studies of poly-ubiquitin proteins 399 (2004) 440 Yen, J.-H., see Lin, H.-N. 399 (2004) 422 Yin, Z., see Cai, M.-Q. 399 (2004) 89 Yu, L., H. Song, S. Lu, Z. Liu and L. Yang, Influence of shape anisotropy on photoluminescence characteristics in LaPO,:Eu nanowires 399 (2004) 384 Yu. J.G., see Wang, X.F. 399 (2004) 230 Yue, Y., see Zheng, A. 399 (2004) 172 Zanelatto, A.L.M., see Ribeiro, E.M.S. 399 (2004) 135 Zazza, C., L. Bencivenni and M. Aschi, A density functional theory study of hexafluoropropene: low-lying singlet excited states and primary photodissociation channel 399 (2004) 184 Zbiri, M., see Atanasov, M. 399 (2004) 433 Zhang, J.,Q. Cui, X. Li, Z. He, W. Li, Y. Ma, Q. Guan, W. Gao and G. Zou, Plasma induced sp” to sp’ transition in boron nitride 399 (2004) 451 Zhang, M.-S., see Cai, M.-Q. 399 (2004) 89 Zhang, X.B., see Geng, H.Z. 399 (2004) 109 Zhang, P., see Dong, F.-L. 399 (2004) 215 Zhao, D., C. Andreazza, P. Andreazza, J. Ma, Y. Liu and D. Shen, Temperature-dependent growth mode and photoluminescence properties of ZnO nanostructures 399 (2004) 522 Zhao, X.J., see Wang, X.F. 399 (2004) 230 Zhao, B., H. Lu, I. Likhtina and J.R. Lombardi, Spectroscopy of mass-selected TiCu; in argon matrices 399 (2004) 392 Zheng, A., M. Yang, Y. Yue, C. Ye and F. Deng, '*C NMR shielding tensors of carboxyl carbon in amino acids calculated by ONIOM method 399 (2004) 172

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