253 - 258 |
Dissociation of excited 3-butenoic acid at 193 nm: observation of two channel OH formation dynamics by laser-induced fluorescence Chowdhury PK |
259 - 264 |
Isochronal temperature-pressure superpositioning of the alpha-relaxation in type-A glass formers Roland CM, Casalini R, Paluch M |
265 - 269 |
Relativistic mass-corrections to the heavy atom nuclear magnetic shieldings. Analysis of contributions in terms of localized orbitals Gomez SS, Romero RH, Aucar GA |
270 - 277 |
Stress and temperature self-sensing fibres Psarras GC, Parthenios J, Bollas D, Galiotis C |
278 - 283 |
Structural electric dipole in small ionic nanocrystals Rayane D, Allouche AR, Compagnon I, Antoine R, Aubert-Frecon M, Broyer M, Dugourd P |
284 - 292 |
A CASPT2 study of the dipole moment surfaces of hydrogen sulphide molecule Henon E, Cours T, Tyuterev VG |
293 - 307 |
Excited state molecular dynamics simulations of nonlinear push-pull chromophores Moran AM, Kelley AM, Tretiak S |
308 - 318 |
Role of methyl substitution on the spectroscopic properties of porphyrazines. A TDDFT study using pure and hybrid functionals on porphyrazine and its octamethyl derivative Infante I, Lelj F |
319 - 323 |
Influence of subsurface, charged impurities on the adsorption of chlorine at TiO2(110) Batzill M, Hebenstreit ELD, Hebenstreit W, Diebold U |
324 - 329 |
Statistical mechanics of a two-dimensional lattice model of benzene adsorption in zeolites Jalili SE, Dunne LJ, Manos G, Khettar A |
330 - 338 |
Photophysics of 4-N,N-dimethylamino cinnamaldehyde in AOT reverse micelles and exploration of its position and orientation Panja S, Chakravorti S |
339 - 343 |
A simple large-scale synthesis of very long aligned silica nanowires Hu JQ, Jiang Y, Meng XM, Lee CS, Lee ST |
344 - 350 |
Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{111} Michaelides A, Bocquet ML, Sautet P, Alavi A, King DA |
351 - 360 |
Comparative studies between hydrated hydrogen bonded and stacked DNA base pair Sivanesan D, Sumathi I, Welsh WJ |
361 - 366 |
Local and average electromagnetic enhancement in surface-enhanced Raman scattering from self-affine fractal metal substrates with nanoscale irregularities Sanchez-Gil JA, Garcia-Ramos JV |
367 - 375 |
Nonempirical analysis of the catalytic activity of the molecular environment - optimal static and dynamic catalytic fields for double proton transfer in formamide-formamidine complex Dziekonski P, Sokalski WA, Podolyan Y, Leszczynski J |
376 - 381 |
Molecular conformation of n-alkyl monolayers covalently bonded to Si(111) probed by infrared-visible sum-frequency spectroscopy Ishibashi T, Ara M, Tada H, Onishi H |
382 - 389 |
Dominant channels of vibronic transitions in molecules with several identical modes Segev B, Sergeev AV |
390 - 397 |
High first hyperpolarizability and perfectly aligned crystal packing for an organometallic compound [Fe(eta(5)-C5H5) ((R)-PROPHOS)(p-NCC6H4NO2)][PF6] center dot CH2Cl2 Wenseleers W, Goovaerts E, Hepp P, Garcia MH, Robalo MP, Dias AR, Piedade MFM, Duarte MT |
398 - 404 |
Integral equation theory for correcting truncation errors in molecular simulations Kast SM, Schmidt KF, Schilling B |
405 - 413 |
Potential energy surfaces for the benzene-rare gas systems Pirani F, Porrini M, Cavalli S, Bartolomei M, Cappelletti D |
414 - 422 |
Kinetic energy as functional of the correlation hole Nalewajski RF |
423 - 429 |
A theoretical study of the reactions of carbonyl oxide with water in atmosphere: the role of water dimer Ryzhkov AB, Ariya PA |
430 - 438 |
Elastic constants and electronic structure of alkaline-earth chalcogenides. Performances of various hamiltonians Marinelli F, Lichanot A |
439 - 447 |
Oxygen reduction on a platinum cluster Li T, Balbuena PB |
448 - 454 |
Dipole polarizabilities of germanium clusters Wang JL, Yang ML, Wang GH, Zhao JJ |
455 - 462 |
Performance of higher order Monte Carlo wave packet methods for surface science problems: A test for photoinduced desorption Andrianov I, Saalfrank P |
463 - 467 |
Ab initio DFT investigations on structure of copper(I) bis-diazine complexes Roussel K, Cartier A, Marsura A |
468 - 474 |
Ring currents that survive bond alternation in constrained 8 pi and 6 pi monocycles Havenith RWA, Jenneskens LW, Fowler PW |
475 - 481 |
SWNTs as catalyst and/or support in the catalytic decomposition of hydrocarbons Hernadi K, Thien-Nga L, Ljubovic E, Forro L |
482 - 488 |
Ab initio molecular orbital study of the weak (C)over-tilde2A'<-(X)over-tilde2A' transition of the vinyl radical Zhang P, Morokuma K |
489 - 494 |
Thermochemistry of atmospheric sulfur compounds Resende SM, Ornellas FR |
495 - 499 |
Amorphous feather-like boron nanowires Wang YQ, Cao LM, Duan XF |
500 - 506 |
Low temperature rotational relaxation of N-2 in collisions with He Aoiz FJ, Banares L, Herrero VJ, Martinez-Haya B, Menendez M, Quintana P, Tanarro I, Verdasco E |
507 - 511 |
Characterization of broadband amplified spontaneous emission from an Er3+-Tm3+ co-doped silica fiber Jeong H, Oh K, Han SR, Morse TF |
512 - 515 |
Self-organized formation of chainlike silver nanostructure with fractal geometry Wei GD, Deng Y, Nan CW |