Chemical Physics Letters 1999: Vol 302 Index

11 Pages·1999·2.9 MB·English

26 March 1999
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PHYSICS
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ELSEVIER Chemical Physics Letters 302 (1999) 639-648
Author index to volume 302
Acioli, P.H., see Prudente, F.V. 302 (1999) 249
Acke, F., see Panas, I. 302 (1999) 431
Agmon, N. and I.V. Gopich, Kinetic transition in excited-state reversible reactions 302 (1999) 399
Akahama, Y., see Nakahata, I. 302 (1999) 359
Aleman, C., Solvation of cytosine and thymine using a combined Discrete /SCRF model 302 (1999) 461
Alieva, E.V., L.A. Kuzik, V.A. Yakovlev, G. Knippels, A.F.G. van der Meer and G.
Mattei, Spectroscopy of a thin fullerene film on silver using sum frequency generation
enhanced by visible surface plasmon—polaritons 302 (1999) 528
Alpert, B., see Loupiac, C. 302 (1999) 627
Ando, I., see Yamauchi, K. 302 (1999) 331
Aniolek, K.W., P.E. Powers, T.J. Kulp, B.A. Richman and S.E. Bisson, Cavity ringdown
laser absorption spectroscopy with a 1 kHz mid-infrared periodically poled lithium
niobate optical parametric generator /optical parametric amplifier 302 (1999) 555
Aqvist, J., see Luzhkov, V. 302 (1999) 267
Arasaki, Y., K. Takatsuka, K. Wang and V. McKoy, Femtosecond energy- and angle-re-
solved photoelectron spectra 302 (1999) 363
Arepalli, S. and C.D. Scott, Spectral measurements in production of single-wall carbon
nanotubes by laser ablation 302 (1999) 139
Atabek, O., see Dion, C.M. 302 (1999) 215
Baerends, E.J., see Gritsenko, O.V. 302 (1999) 199
Bailey, A.E., D.E. Heard, D.A. Henderson and P.H. Paul, Collisional quenching of
OH(A**, v' = 0) by H,O between 211 and 294 K and the development of a unified
model for quenching 302 (19991)3 2
Balakrishnan, N. and A. Dalgarno, Rate coefficients for NO formation in energetic N + O,
collisions 302 (19994)8 5
Baldelli, S., C. Schnitzer and M.J. Shultz, The structure of water on HCI solutions studied
with sum frequency generation 302 (19991)5 7
Bandow, S., see Takizawa, M. 302 (19991)4 6
Bandrauk, A.D., see Dion, C.M. 302 (19992)1 5
Bardeen, C.J., J. Cao, F.L.H. Brown and K.R. Wilson, Using time-dependent rate equations
to describe chirped pulse excitation in condensed phases 302 (19994)0 5
Barker, J.R., see Yoder, L.M. 302 (19996)0 2
Barone, V., A. di Matteo, F. Mele, I. de P.R. Moreira and F. Illas, Through-bond and
through-space effects in the magnetic properties of nitroxide biradicals by an integrated
QM /MM approach including solvent effects 302 (1999) 240
Bartlett, R.J., see Kucharski, S.A. 302 (1999) 295
640 Author index to volume 302
Bellert, D., see McCaffrey, J.G. 302 (1999) 113
Belyaev, A.K. and A.S. Tiukanov, On nonadiabatic effects in H” + H, collisions 302 (1999) 65
Bergmann, U., C.R. Horne, T.J. Collins, J.M. Workman and S.P. Cramer, Chemical
dependence of interatomic X-ray transition energies and intensities — a study of Mn KB”
and KB, ; spectra 302 (1999) 119
Bertarelli, C., see Stellacci, F. 302 (1999) 563
Birckner, E., see Helbig, M. 302 (1999) 587
Bisson, S.E., see Aniolek, K.W. 302 (1999) 555
Bonatsos, D., N. Karoussos, P.P. Raychev, R.P. Roussev and P.A. Terziev, The 3-dimen-
sional g-deformed harmonic oscillator and magic numbers of alkali metal clusters 302 (19993)9 2
Bondareva, V.M., see Shubin, A.A. 302 (19993)4 1
Bouckaert, S., see Lievens, P. 302 (19995)7 1
Bourque, H., T. Taleb and R.M. Leblanc, Direct observation of chlorophyll a dimer 302 (19991)8 7
Bousseksou, A., see Thiel, A. 302 (19995)4 9
Bouwen, W., see Lievens, P. 302 (19995)7 1
Breckenridge, W.H., see McCaffrey, J.G. 302 (19991)1 3
Brown, F.L.H., see Bardeen, C.J. 302 (19994)0 5
Buatier de Mongeot, F., A. Cupolillo, M. Rocca and U. Valbusa, Sub-surface incorporation
of oxygen on Ag(001) during molecular dissociation 302 (1999) 302
Byrne, H.J., see Chambers, G. 302 (1999) 307
Cai, S.-H., Z. Chen, X. Xu and H.-L. Wan, Ab initio calculations of '7F NMR chemical
shielding for alkali-metal fluorides 302 (1999) 73
Camargo Dias Jr., L., R. Custodio and F.B.T. Pessine, Theoretical studies of Nile Red by
ab initio and semiempirical methods 302 (1999) 505
Canet, D., see Humbert, F. 302 (1999) 1
Cao, J., see Bardeen, C.J. 302 (1999) 405
Capitelli, M., see Esposito, F. 302 (1999) 49
Chambers, G. and H.J. Byrne, Raman spectroscopic study of excited states and photo-poly-
merisation of C,,.. from solution 302 (1999) 307
Chandler, D.W., see Yoder, L.M. 302 (1999) 602
Chang, T.-C., see Weng, K.C. 302 (1999) 347
Chao, S.D., M. Hayashi, S.H. Lin and E.W. Schlag, Investigation of the validity conditions
of using an isolated-line approximation to the level-mixing model 302 (19992)5 5
Chen, G.H., see Yokojima, S. 302 (19994)9 5
Chen, Z., see Cai, S.-H. 302 (1999) 73
Cheng, J.-Y., see Weng, K.C. 302 (19993)4 7
Cheng, S.-Y., see Weng, K.C. 302 (19993)4 7
Chernyak, V., see Tsiper, E.V. 302 (1999) 77
Chiang, C.-C., see Weng, K.C. 302 (19993)4 7
Churakov, S.V., see Kalinichev, A.G. 302 (19994)1 1
Collins, T.J., see Bergmann, U. 302 (19991)1 9
Corma, A., see Sastre, G. 302 (19994)4 7
Cosman, M., see Krishnan, V.V. 302 (19993)1 7
Cramer, S.P., see Bergmann, U. 302 (19991)1 9
Cupolillo, A., see Buatier de Mongeot, F. 302 (19993)0 2
Custodio, R., see Camargo Dias Jr., L. 302 (19995)0 5
Author index to volume 302
Czeslik, C. and J. Jonas, Pressure and temperature dependence of hydrogen-bond strength
in methanol clusters 302 (1999) 633
Dalgarno, A., see Balakrishnan, N. 302 (1999) 485
Daniel, C., see Rubner, O. 302 (1999) 489
De Castro, E.V.R., see Jorge, F.E. 302 (1999) 454
Dedonder-Lardeux, C., see Miyawaki, J. 302 (1999) 354
Delbecq, F. and P. Sautet, Interplay between magnetism and chemisorption: a theoretical
study of CO and NO adsorption on a Pd,Mn alloy surface 302 (1999) 91
Delhaes, P., see Lafuente, C. 302 (19995)2 3
De P.R. Moreira, I., see Barone, V. 302 (19992)4 0
De Smet, K., see Jadzyn, J. 302 (19993)3 7
Desseyn, H.O., see Rousseau, B. 302 (1999) 55
Di Matteo, A., see Barone, V. 302 (19992)4 0
Dion, C.M., A.D. Bandrauk, O. Atabek, A. Keller, H. Umeda and Y. Fujimura, Two-
frequency IR laser orientation of polar molecules. Numerical simulations for HCN 302 (1999) 215
Dolg, M., see Liu, W. 302 (1999) 231
Dresselhaus, M.S., see Jishi, R.A. 302 (1999) 533
Eckert, F. and H.-J. Werner, Local interpolation of ab initio potential energy surfaces for
direct dynamics studies of chemical reactions 302 (19992)0 8
Eddaoudi, H., see Janot, J.M. 302 (19991)0 3
Ederlé, Y., see Janot, J.M. 302 (19991)0 3
Engel, V., see Ermoshin, V.A. 302 (1999) 20
Engel, V., see Rubner, O. 302 (19994)8 9
Engels, B., see Zdetsis, A. 302 (19992)8 8
Ermoshin, V.A., A.K. Kazansky and V. Engel, A novel mixed quantum /classical method
for the dynamics of molecules in a gas environment with an application to femtosecond
time-resolved spectroscopy 302 (1999) 20
Esposito, F. and M. Capitelli, Quasiclassical molecular dynamic calculations of vibra-
tionally and rotationally state selected dissociation cross-sections: N + N,(v,j) ~ 3N 302 (1999) 49
Facelli, J.C., see Orendt, A.M. 302 (1999) 499
Farantos, S.C., see Velegrakis, M. 302 (1999) 595
Flidr, J., Y.-C. Huang, T.A. Newton and M.A. Hines, The formation of etch hillocks during
step-flow etching of Si({111) 302 (1999) 85
Franke, R., see Liu, W. 302 (1999) 231
Franks, K.J., H. Li, S.R. Kuy and W. Kong, Photodissociation of ICN at 266 nm and BrCN
at 230 nm using brute force orientation 302 (1999) 151
Froudakis, G.E., see Velegrakis, M. 302 (1999) 595
Fujimura, Y., see Dion, C.M. 302 (1999) 215
Gallazzi, M.C., see Stellacci, F. 302 (19995)6 3
Geise, H.J., see Rousseau, B. 302 (1999) 55
George, L., see Joy, V.T. 302 (19995)1 7
Gopich, I.V., see Agmon, N. 302 (19993)9 9
Grage, M.M.-L., see Helbig, M. 302 (19995)8 7
Grant, D.M., see Orendt, A.M. 302 (19994)9 9
642 Author index to volume 302
Gritsenko, O.V., P.R.T. Schipper and E.J. Baerends, Approximation of the exchange-corre-
lation Kohn—Sham potential with a statistical average of different orbital model poten-
tials 302 (1999) 199
Hachey, M.R., see Rubner, O. 302 (1999) 489
Halkier, A., T. Helgaker, P. Jorgensen, W. Klopper and J. Olsen, Basis-set convergence of
the energy in molecular Hartree—Fock calculations 302 (1999) 437
Hallock, K.J., D.K. Lee and A. Ramamoorthy, Carbon-13 chemical shifts and 'H-"C
dipolar couplings in metal sandwich solids using one-dimensional solid-state NMR
spectroscopy 302 (19991)7 5
Hamori, A., see Schiller, R. 302 (19996)2 1
Hanrath, M., see Zdetsis, A. 302 (19992)8 8
Hashizume, D., see Nakagawa, M. 302 (19991)2 5
Hayashi, M., see Chao, S.D. 302 (19992)5 5
He, K.-L., J.-S. Zhang and G.-Z. Xu, Photoacoustic laser magnetic resonance 302 (19991)7 1
Head-Gordon, M., see Hirata, S. 302 (19993)7 5
Head-Gordon, M., see Sherrill, C.D. 302 (19994)2 5
Heard, D.E., see Bailey, A.E. 302 (19991)3 2
Helbig, M., A. Ruseckas, M.M.-L. Grage, E. Birckner, S. Rentsch and V. Sundstrém,
Resolving the radical cation formation from the lowest-excited singlet (S,) state of
terthiophene in a TiO,—SiO, hybrid polymer matrix 302 (19995)8 7
Helgaker, T., see Halkier, A. 302 (19994)3 7
Hellemans, L., see Jadzyn, J. 302 (19993)3 7
Henderson, D.A., see Bailey, A.E. 302 (19991)3 2
Hilbers, P.A.J., see van Hardeveld, R.M. 302 (1999) 98
Hines, M.A., see Flidr, J. 302 (1999) 85
Hirao, K., see Nakajima, T. 302 (19993)8 3
Hirata, S. and M. Head-Gordon, Time-dependent density functional theory for radicals. An
improved description of excited states with substantial double excitation character 302 (1999) 375
Hockridge, M.R., E.G. Robertson and J.P. Simons, lon-dip spectroscopy and structure of
5-phenyl imidazole, 4-phenyl imidazole and its 1:1 hydrate 302 (1999) 538
Hopstaken, M.J.P., see van Hardeveld, R.M. 302 (1999) 98
Horne, C.R., see Bergmann, U. 302 (1999) 119
Huang, Y.-C., see Flidr, J. 302 (1999) 85
Humbert, F., M. Valtier and D. Canet, Restricted molecular diffusion in the vicinity of a
reflective wall as probed by NMR measurements using radio-frequency field gradients 302 (1999) 1
lijima, S., see Takizawa, M. 302 (19991)4 6
Illas, F., see Barone, V. 302 (19992)4 0
Ishida, T., see Nakagawa, M. 302 (19991)2 5
Isoniemi, E., see Khriachtchev, L. 302 (19993)2 4
Iwai, S., see Yamamoto, K. 302 (19996)0 9
Iwasaki, F., see Nakagawa, M. 302 (19991)2 5
Jadzyn, J., P. Kedziora, L. Hellemans and K. De Smet, Relaxation of the Langevin
saturation in dilute solution of mesogenic 10-TPEB molecules 302 (1999) 337
Janot, J.M., H. Eddaoudi, P. Seta, Y. Ederlé and C. Mathis, Photophysical properties of the
fullerene C,,, core of a 6-arm polystyrene star 302 (1999) 103
Jansen, A.P.J., see van Hardeveld, R.M. 302 (1999) 98
Author index to volume 302 643
Jaquet, R., The influence of non-adiabaticity on the nuclear motion in the H} molecule 302 (1999) 27
Jishi, R.A. and M.S. Dresselhaus, Vibrational frequencies in C, , 302 (1999) 533
Johnson, T., see Panas, I. 302 (1999) 431
Jonas, J., see Czeslik, C. 302 (1999) 633
Jorge, F.E. and E.V.R. de Castro, Improved generator coordinate Hartree-Fock method:
application to first-row atoms 302 (1999) 454
Jgrgensen, P., see Halkier, A. 302 (1999) 437
Jouvet, C., see Miyawaki, J. 302 (1999) 354
Joy, V.T., L. George and T.K.K. Srinivasan, Adsorption of 1,3-dithiol-2-thione-4,5-dithio-
late on silver surface studied by surface-enhanced Raman spectroscopy 302 (19995)1 7
Kalinichev, A.G. and S.V. Churakov, Size and topology of molecular clusters in supercriti-
cal water: a molecular dynamics simulation 302 (19994)1 1
Kamada, K., T. Sugino, M. Ueda, K. Tawa, Y. Shimizu and K. Ohta, Femtosecond optical
Kerr study of heavy-atom effects on the third-order optical non-linearity of thiophene
homologues: electronic hyperpolarizability of tellurophene 302 (19996)1 5
Kamata, T., see Yamamoto, K. 302 (19996)0 9
Karoussos, N., see Bonatsos, D. 302 (19993)9 2
Kawamoto, Y., see Tamai, Y. 302 (1999) 15
Kawamura, H., see Nakahata, I. 302 (19993)5 9
Kazansky, A.K., see Ermoshin, V.A. 302 (1999) 20
Kazaoui, S., see Yamamoto, K. 302 (19996)0 9
Kedziora, P., see Jadzyn, J. 302 (19993)3 7
Keller, A., see Dion, C.M. 302 (19992)1 5
Keuleers, R., see Rousseau, B. 302 (1999) 55
Khriachtchev, L., M. Pettersson, E. Isoniemi, J. Lundell and M. Rasanen, Laser-induced
fluorescence studies of S} in solid argon 302 (1999) 324
Kim, S.H., P.C. Stair and E. Weitz, Substrate-mediated photodesorption from multilayers
of CH,I on TiO,(110) at 90 K 302 (1999) 511
Klopper, W., see Halkier, A. 302 (1999) 437
Knippels, G., see Alieva, E.V. 302 (1999) 528
Kobayashi, K. and S. Nagase, Bonding features in endohedral metallofullerenes. Topologi-
cal analysis of the electron density distribution 302 (1999) 312
Kobayashi, T., see Yamamoto, K. 302 (1999) 609
Kong, W., see Franks, K.J. 302 (1999) 151
Krishnan, V.V., K.H. Thornton and M. Cosman, An improved experimental scheme to
measure self-diffusion coefficients of biomolecules with an advantageous use of radia-
tion damping 302 (1999) 317
Kruk, N., see Loupiac, C. 302 (1999) 627
Kucharski, S.A., J.D. Watts and R.J. Bartlett, Geometry and harmonic frequency of N,
with coupled cluster methods that include connected quadruple excitations 302 (1999) 295
Kiihn, O., see Zhao, Y. 302 (1999) 7
Kulp, T.J., see Aniolek, K.W. 302 (1999) 555
Kunkely, H. and A. Vogler, Photoluminescence of dicyclopentadienylniobium(IV) com-
plexes 302 (1999) 583
Kuroki, S., see Yamauchi, K. 302 (1999) 331
Kuy, S.R., see Franks, K.J. 302 (1999) 151
Kuzik, L.A., see Alieva, E.V. 302 (1999) 528
644 Author index to volume 302
Lafuente, C., C. Mingotaud and P. Delhaes, A Langmuir—Blodgett film presenting a
ferromagnetic state below 25 K 302 (19995)2 3
Lapina, O.B., see Shubin, A.A. 302 (19993)4 1
Lapstun, P., see Treboux, G. 302 (1999) 60
Leblanc, R.M., see Bourque, H. 302 (19991)8 7
Lee, D.K., see Hallock, K.J. 302 (19991)7 5
Lee, M.S., see Sherrill, C.D. 302 (19994)2 5
Lee, S.-L., see Lin, Y.-T. 302 (19991)0 8
Lester, M.I., see Tsiouris, M. 302 (19991)9 2
Leszczynski, J., see Shishkin, O.V. 302 (19992)6 2
Leung, A.W.K., see McCaffrey, J.G. 302 (19991)1 3
Li, H., see Franks, K.J. 302 (19991)5 1
Li, S.-M., see Yu, Y.-X. 302 (19992)8 1
Li, Z.-S., see Yu, Y.-X. 302 (19992)8 1
Lievens, P., P. Thoen, S. Bouckaert, W. Bouwen, F. Vanhoutte, H. Weidele and R.E.
Silverans, Evidence for size-dependent electron delocalization in the ionization poten-
tials of lithium monocarbide clusters 302 (1999) 571
Lin, S.H., see Chao, S.D. 302 (1999) 255
Lin, Y.-T., R.K. Mishra and S.-L. Lee, Capping C,, through C,: studying the relative
stability of the five C,,. fullerene isomers 302 (1999) 108
Liu, W., R. Franke and M. Dolg, Relativistic ab initio and density functional theory
calculations on the mercury fluorides: Is HgF, thermodynamically stable? 302 (1999) 231
Lorenz, K.T., see Yoder, L.M. 302 (1999) 602
Loupiac, C., N. Kruk, P. Valat and B. Alpert, Protein relaxation without a geminate phase
in nanosecond photodissociated CO carp hemoglobin 302 (1999) 627
Lukkien, J.J., see van Hardeveld, R.M. 302 (1999) 98
Lundell, J., see Khriachtchev, L. 302 (1999) 324
Luzhkov, V. and J. Aqvist, Free-energy perturbation calculations of binding and transition-
state energies: hydrolysis of phenyl esters by B-cyclodextrin 302 (1999) 267
Maeda, K., see Nakai, M. 302 (1999) 577
Martrenchard-Barra, S., see Miyawaki, J. 302 (1999) 354
Mathis, C., see Janot, J.M. 302 (1999) 103
Matsui, N., see Nakahata, I. 302 (1999) 359
Mattei, G., see Alieva, E.V. 302 (1999) 528
McCaffrey, J.G., D. Bellert, A.W.K. Leung and W.H. Breckenridge, Spectroscopic charac-
terization of the Zn(4s”)- Ne['S*] and Zn(4s4p7) - Ne[' TI ,] van der Waals states 302 (19991)1 3
McKoy, V., see Arasaki, Y. 302 (19993)6 3
Mele, F., see Barone, V. 302 (19992)4 0
Minami, N., see Yamamoto, K. 302 (19996)0 9
Mingotaud, C., see Lafuente, C. 302 (19995)2 3
Misawa, K., see Yamamoto, K. 302 (19996)0 9
Mishra, R.K., see Lin, Y.-T. 302 (19991)0 8
Miyawaki, J.. K. Sugawara, H. Takeo, C. Dedonder-Lardeux, S$. Martrenchard-Barra, C.
Jouvet and D. Solgadi, Electronic spectrum of AgNH , complex 302 (1999) 354
Mizukami, F., see Yamamoto, K. 302 (1999) 609
Mukamel, S., see Tsiper, E.V. 302 (1999) 77
Murai, H., see Nakai, M. 302 (1999) 577
Author index to volume 302
Nagao, H., S. Yamanaka, M. Nishino, Y. Yoshioka and K. Yamaguchi, Theoretical studies
on the magnetic quantum tunneling rates in Mn clusters by the path integral method 302 (19994)1 8
Nagase, S., see Kobayashi, K. 302 (19993)1 2
Nakagawa, M., T. Ishida, M. Suzuki, D. Hashizume, M. Yasui, F. Iwasaki and T. Nogami,
Intermolecular ferromagnetic interaction in the crystal of a diphenyl] nitroxide derivative.
The role of spin-polarized hydrogen atoms located near a neighboring N—O site 302 (1999) 125
Nakahata, I., N. Matsui, Y. Akahama and H. Kawamura, Structural studies of solid
methane at high pressures 302 (1999) 359
Nakai, M., K. Maeda and H. Murai, Delayed fluorescence detected magnetic resonance
study on the spin dynamics of the transient radical-ion pair formed in the photolysis of
carbazole in 2-propanol 302 (1999) 577
Nakajima, T. and K. Hirao, A new relativistic theory: a relativistic scheme by eliminating
small components (RESC) 302 (1999) 383
Newton, T.A., see Flidr, J. 302 (1999) 85
Niemantsverdriet, J.W., see van Hardeveld, R.M. 302 (1999) 98
Nishino, M., see Nagao, H. 302 (1999) 418
Nogami, T., see Nakagawa, M. 302 (1999) 125
Ohta, K., see Kamada, K. 302 (1999) 615
Ohta, T., see Yamamoto, K. 302 (1999) 609
Oliva, J.M., Rate constant calculations in the dimerization of diaminocarbene: a direct
dynamics study 302 (1999) 35
Olsen, J., see Halkier, A. 302 (1999) 437
Orendt, A.M., J.C. Facelli and D.M. Grant, A theoretical study of the acetate '*C chemical
shift tensor in cadmium acetate dihydrate 302 (1999) 499
Ouillon, R., see Pinan-Lucarre, J.-P. 302 (1999) 164
Ozaki, T., see Yamauchi, K. 302 (1999) 331
Panas, I., A. Snis, F. Acke and T. Johnson, Transition metal complexes with (NO); anions 302 (1999) 431
Paul, P.H., see Bailey, A.E. 302 (1999) 132
Personov, R.I., see Weng, K.C. 302 (1999) 347
Pessine, F.B.T., see Camargo Dias Jr., L. 302 (1999) 505
Peters, G. and B. Schramm, Nuclear spin state relaxation in formaldehyde: dependence of
the rate constant on pressure 302 (1999) 181
Pettersson, M., see Khriachtchev, L. 302 (1999) 324
Peyerimhoff, S.D., see Zdetsis, A. 302 (1999) 288
Pinan-Lucarre, J.-P., R. Ouillon and P. Ranson, Linear wave vector dependence of
low-frequency Raman modes in two uniaxial gyrotropic quartz-type materials: a-GaPO,
and a-AlPO, 302 (1999) 164
Ponti, A., Simulation of one-dimensional magnetic resonance powder lineshapes reduced to
area computation 302 (1999) 224
Powers, P.E., see Aniolek, K.W. 302 (1999) 555
Prudente, F.V. and J.J. Soares Neto, Optimized mesh for the finite-element method using a
quantum-mechanical procedure 302 (1999) 43
Prudente, F.V. and P.H. Acioli, Quantum-Monte Carlo study of rovibrational states of
molecular systems 302 (1999) 249
Ramamoorthy, A., see Hallock, K.J. 302 (1999) 175
Ranson, P., see Pinan-Lucarre, J.-P. 302 (1999) 164
646 Author index to volume 302
Risinen, M., see Khriachtchev, L. 302 (19993)2 4
Raychev, P.P., see Bonatsos, D. 302 (19993)9 2
Rentsch, S., see Helbig, M. 302 (19995)8 7
Richman, B.A., see Aniolek, K.W. 302 (19995)5 5
Robertson, E.G., see Hockridge, M.R. 302 (19995)3 8
Rocca, M., see Buatier de Mongeot, F. 302 (19993)0 2
Rousseau, B., R. Keuleers, H.O. Desseyn, H.J. Geise and C. Van Alsenoy, Solids modeled
by ab-initio crystal field methods. Effects of intermolecular interactions on the vibra-
tional spectrum of urea 302 (1999) 55
Roussev, R.P., see Bonatsos, D. 302 (1999) 392
Rubner, O., V. Engel, M.R. Hachey and C. Daniel, A CASSCF/MR-CCI study of the
excited states of Fe(CO), 302 (1999) 489
Ruseckas, A., see Helbig, M. 302 (1999) 587
OEgigaeSa=rte E EtT
Sastre, G. and A. Corma, Relation between structure and Lewis acidity of Ti-Beta and TS-1
zeolites. A quantum-chemical study 302 (1999) 447
a
Sautet, P., see Delbecq, F. 302 (1999) 91
Schiller, R. and A. Hamori, Pattern formation in a class of homogeneous photochemical
reactions 302 (1999) 621
Schipper, P.R.T., see Gritsenko, O.V. 302 (1999) 199
Schlag, E.W., see Chao, S.D. 302 (1999) 255
Schnitzer, C., see Baldelli, S. 302 (1999) 157
Schramm, B., see Peters, G. 302 (1999) 181
Schiiirmann, G., Gas-phase and solution-phase proton transfer to H,O analyzed by
high-level ab initio quantum chemistry including complete basis set and Gaussian theory
schemes 302 (1999) 471
Scott, C.D., see Arepalli, S. 302 (1999) 139
Seta, P., see Janot, J.M. 302 (1999) 103
Sherrill, C.D., M.S. Lee and M. Head-Gordon, On the performance of density functional
theory for symmetry-breaking problems 302 (1999) 425
Shimizu, Y., see Kamada, K. 302 (1999) 615
Shishkin, O.V. and J. Leszezynski, The contribution of ring conformational flexibility to
the relative stability of isomeric cyclohexadienes 302 (1999) 262
Shoji, A., see Yamauchi, K. 302 (1999) 331
Shubin, A.A., O.B. Lapina and V.M. Bondareva, Characterisation of strongly bonded V(V)
species in VO,/TiO, catalyst by static and MAS solid-state °'V NMR spectroscopy 302 (19993)4 1
Shultz, M.J., see Baldelli, S. 302 (19991)5 7
Silverans, R.E., see Lievens, P. 302 (19995)7 1
Silverbrook, K., see Treboux, G. 302 (1999) 60
Simons, J.P., see Hockridge, M.R. 302 (19995)3 8
Snis, A., see Panas, I. 302 (19994)3 1
Soares Neto, J.J., see Prudente, F.V. 302 (1999) 43
Solgadi, D., see Miyawaki, J. 302 (19993)5 4
Sordo, J.A., Using fuzzy set theory to assess basis set quality 302 (19992)7 3
Srinivasan, T.K.K., see Joy, V.T. 302 (19995)1 7
Stair, P.C., see Kim, S.H. 302 (19995)1 1
Author index to volume 302
Stellacci, F., C. Bertarelli, F. Toscano, M.C. Gallazzi and G. Zerbi, Diarylethene-based
photochromic rewritable optical memories: on the possibility of reading in the mid-in-
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Sugawara, K., see Miyawaki, J. 302 (1999) 354
Sugino, T., see Kamada, K. 302 (1999) 615
Sun, C.-C., see Yu, Y.-X. 302 (1999) 281
Sundholm, D., Density functional theory calculations of the visible spectrum of chlorophyll
a 302 (1999) 480
Sundstrém, V., see Helbig, M. 302 (1999) 587
Suzuki, M., see Nakagawa, M. 302 (1999) 125
Takatsuka, K., see Arasaki, Y. 302 (1999) 363
Takeo, H., see Miyawaki, J. 302 (1999) 354
Takizawa, M., S. Bandow, T. Torii and S. lijima, Effect of environment temperature for
synthesizing single-wall carbon nanotubes by arc vaporization method 302 (1999) 146
Taleb, T., see Bourque, H. 302 (1999) 187
Tamai, Y. and Y. Kawamoto, Molecular dynamics simulation of permanent densification of
fluorozirconate glass 302 (1999) 15
Tawa, K., see Kamada, K. 302 (1999) 615
Terziev, P.A., see Bonatsos, D. 302 (1999) 392
Thiel, A., A. Bousseksou, M. Verelst, F. Varret and J.P. Tuchagues, Dynamic spin—cros-
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Thoen, P., see Lievens, P. 302 (19995)7 1
Thornton, K.H., see Krishnan, V.V. 302 (19993)1 7
Tiukanov, A.S., see Belyaev, A.K. 302 (1999) 65
Torii, T., see Takizawa, M. 302 (19991)4 6
Toscano, F., see Stellacci, F. 302 (19995)6 3
Treboux, G., P. Lapstun and K. Silverbrook, Loss of translational symmetry in carbon
nanotubes 302 (1999) 60
Tretiak, S., see Tsiper, E.V. 302 (1999) 77
Tsiouris, M., M.D. Wheeler and M.I. Lester, Stimulated Raman and electronic excitation of
CH ,—OH reactant complexes 302 (1999) 192
Tsiper, E.V., V. Chernyak, S. Tretiak and S. Mukamel, Ground-state density-matrix
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Tuchagues, J.P., see Thiel, A. 302 (1999) 549
Ueda, M., see Kamada, K. 302 (19996)1 5
Umeda, H., see Dion, C.M. 302 (19992)1 5
Valat, P., see Loupiac, C. 302 (1999) 627
Valbusa, U., see Buatier de Mongeot, F. 302 (1999) 302
Valtier, M., see Humbert, F. 302 (1999) 1
Van Alsenoy, C., see Rousseau, B. 302 (1999) 55
Van der Meer, A.F.G., see Alieva, E.V. 302 (1999) 528
Van Hardeveld, R.M., M.J.P. Hopstaken, J.J. Lukkien, P.A.J. Hilbers, A.P.J. Jansen, R.A.
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648 Author index to volume 302
Vanhoutte, F., see Lievens, P. 302 (1999) 571
Van Santen, R.A., see van Hardeveld, R.M. 302 (1999) 98
Varret, F., see Thiel, A. 302 (1999) 549
Velegrakis, M., G.E. Froudakis and S.C. Farantos, Coordination of Ti cation embedded in
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Verelst, M., see Thiel, A. 302 (1999) 549
Vogler, A., see Kunkely, H. 302 (1999) 583
Wan, H.-L., see Cai, S.-H. 302 (1999) 73
Wang, K., see Arasaki, Y. 302 (1999) 363
Watts, J.D., see Kucharski, S.A. 302 (1999) 295
Weidele, H., see Lievens, P. 302 (1999) 571
Weitz, E., see Kim, S.H. 302 (1999) 511
Weng, K.C., C.-C. Chiang, J.-Y. Cheng, S.-Y. Cheng, R.I. Personov and T.-C. Chang,
Investigation of tautomeric structures of thionin by satellite holes: matrix dependence 302 (1999) 347
Werner, H.-J., see Eckert, F. 302 (1999) 208
Wheeler, M.D., see Tsiouris, M. 302 (1999) 192
Wilson, K.R., see Bardeen, C.J. 302 (1999) 405
Workman, J.M., see Bergmann, U. 302 (1999) 119
Xu, G.-Z., see He, K.-L. 302 (1999) 171
Xu, X., see Cai, S.-H. 302 (1999) 73
Xu, Z.-F., see Yu, Y.-X. 302 (1999) 281
Yakovlev, V.A., see Alieva, E.V. 302 (1999) 528
Yamaguchi, K., see Nagao, H. 302 (1999) 418
Yamamoto, K., T. Kamata, S. Iwai, S. Kazaoui, N. Minami, F. Mizukami, K. Misawa, T.
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of one-dimensional bis(dimethylglyoximato)platinum(IID) complex 302 (1999) 609
Yamanaka, S., see Nagao, H. 302 (1999) 418
Yamauchi, K., S. Kuroki, I. Ando, T. Ozaki and A. Shoji, 'O NMR chemical shifts and
quadrupole coupling constants in solid poly(L-alanine)s determined using a high-speed
MAS technique 302 (1999) 331
Yasui, M., see Nakagawa, M. 302 (1999) 125
Yoder, L.M., J.R. Barker, K.T. Lorenz and D.W. Chandler, Ion imaging the recoil energy
distribution following vibrational predissociation of triplet state pyrazine—Ar van der
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Yokojima, S., D.H. Zhou and G.H. Chen, Linear-scaling computation of ground state with
time-domain localized-density-matrix method 302 (1999) 495
Yoshioka, Y., see Nagao, H. 302 (1999) 418
Yu, Y.-X., S.-M. Li, Z.-F. Xu, Z.-S. Li and C.-C. Sun, Direct dynamics study of the
reaction path and rate constants of NH, + C,H, — NH,+C,H, 302 (1999) 281
Zdetsis, A., B. Engels, M. Hanrath and §.D. Peyerimhoff, The structure of C, Si 302 (1999) 288
Zerbi, G., see Stellacci, F. 302 (1999) 563
Zhang, J.-S., see He, K.-L. 302 (1999) 171
Zhao, Y. and O. Kiihn, Selective infrared laser pulse control of H and CO branching in the
ground-state photodissociation of HCo(CO),. A two-dimensional model simulation 302 (1999) 7
Zhou, D.H., see Yokojima, S. 302 (1999) 495