1 - 7 |
Product energy distributions from ethylene photodissociation at 193 nm: a DFT direct classical trajectory study Martinez-Nunez E, Fernandez-Ramos A, Pena-Gallego A, Vazquez SA |
8 - 15 |
Experimental implementation of Grover's search algorithm using efficient quantum state tomography Das R, Mahesh TS, Kumar A |
16 - 20 |
Bulk-quantity synthesis and self-catalytic VLS growth of SnO2 nanowires by lower-temperature evaporation Chen YQ, Cui XF, Zhang K, Pan DY, Zhang SY, Wang B, Hou JG |
21 - 30 |
Bilinear Jahn-Teller coupling effects in the methoxy radical: impact on photoelectron spectra and spin-orbit splittings Schmidt-Klugmann J, Koppel H, Schmatz S, Botschwina P |
31 - 40 |
Non-linearity of weak B center dot center dot center dot H-C hydrogen bonds: an investigation of a complex of vinyl fluoride and ethyne by rotational spectroscopy Cole GC, Legon AC |
41 - 48 |
Complicated magnetic behavior in one-dimensional nickel(III) chain complex [1-(4'-cyanobenzyl)pyridinium] [Ni(mnt)(2)] (mnt(2-) = maleonitriledithiolate) Xie JL, Ren XM, He C, Song Y, Meng QJ, Kremer RK, Yao YH |
49 - 54 |
Time-resolved EPR study on reorganization energies for charge recombination reactions in the systems involving hydrogen bonding Yago T, Kobori Y, Akiyama K, Tero-Kubota S |
55 - 59 |
Metal-ligand interaction of Ti-C6H6 complex size-selected by a 2-m long electrostatic hexapole field Imura K, Ohoyama H, Kasai T |
60 - 67 |
Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations Jasper AW, Truhlar DG |
68 - 74 |
IR spectra of para-substituted phenol(+)-Ar cations: effect of halogenation on the intermolecular potential and O-H bond strength Solca N, Dopfer O |
75 - 79 |
HCNCC - the possible isomer of cyanoacetylene Kolos R, Dobrowolski JC |
80 - 89 |
Excited state proton transfer and photochromism of an aromatic Schiff base. Pico- and femtosecond kinetics of the N,N'-bis(salicylidene)-p-phenylenediamine (BSP) Ziolek M, Kubicki J, Maciejewski A, Naskrecki R, Grabowska A |
90 - 94 |
Predicting the spectroscopic behaviour of Eu3+ in BaLiF3 via defect modelling and crystal field parameter calculations dos Santos MAC, Valerio MEG, Jackson RA, de Lima JF |
95 - 100 |
Study on dielectric behavior of a three-phase CF/(PVDF+BaTiO3) composite Dang ZM, Fan LZ, Shen Y, Nan CW |
101 - 106 |
Transverse current correlation in a binary fluid mixture Ali SM, Samanta A, Ghosh SK |
107 - 113 |
Hydrogen-bond dynamics in water explored by heterodyne-detected photon echo Yeremenko S, Pschenichnikov MS, Wiersma DA |
114 - 124 |
Ab initio correlated comparative study of the torsional potentials for 2,2-bipyrrole and 2,2'-bifuran five membered heterocyclic dimers Duarte HA, Duani H, De Almeida WB |
125 - 130 |
Direct determination of fragment localized molecular orbitals and the orthogonality constraint Szekeres Z, Surjan PR |
131 - 138 |
Density functional theory calculations on dipeptide-gallic acid interaction Madhan B, Parthasarathi R, Subramanian V, Rao JR, Nair BU, Ramasami T |
139 - 144 |
Crystal structure and bonding properties of Li2I(OH) Gajewski G, Mierzwicki K, Latajka Z |
145 - 151 |
A theoretical investigation on the mechanism and kinetics for the reaction of SiH2Cl2 with atomic O (P-3) Zhang QZ, Wang SK, Gu YS |
152 - 158 |
STM studies of defect production on the TiO2(110)-(1 x 1) and TiO2(110)-(1 x 2) surfaces induced by UV irradiation Mezhenny S, Maksymovych P, Thompson TL, Diwald O, Stahl D, Walck SD, Yates JT |
159 - 164 |
Car-Parrinello molecular dynamics simulation of the calcium ion in liquid water Naor MM, Van Nostrand K, Dellago C |
165 - 172 |
Two different pathways of internal conversion in carotenoids depending on the length of the conjugated chain Fujii R, Inaba T, Watanabe Y, Koyama Y, Zhang JP |
173 - 179 |
REMPI and UV-UV double resonance spectroscopy of tryptophan ethylester and the dipeptides tryptophan-serine, glycine-tryptophan and proline-tryptophan Hunig I, Seefeld KA, Kleinermanns K |
180 - 183 |
HeI photoelectron spectroscopy of the isoproxy (CH3)(2)CHO radical Zheng S, Zheng SJ, Meng LP, Wang DX |
184 - 191 |
Carbon K-edge X-ray Raman spectroscopy supports simple, yet powerful description of aromatic hydrocarbons and asphaltenes Bergmann U, Groenzin H, Mullins OC, Glatzel P, Fetzer J, Cramer SP |
192 - 197 |
Molecular arrangement of the Davydov-split dye aggregates Basko DM, Lobanov AN, Pimenov AV, Vitukhnovsky AG |
198 - 203 |
Formation and magnetic characteristics of cobalt-carbon nanocluster magnets embedded in amorphous carbon matrices Nishi N, Kosugi K, Hino K, Yokoyama T, Okunishi E |
204 - 213 |
Oxidation mechanism of delta-hydroxyisoprene alkoxy radicals: hydrogen abstraction versus 1,5 H-shift Zhao J, Zhang RY, North SW |
214 - 219 |
Time-dependent DFT study on the electronic states of BBr Zou WL, Lin MR, Yang XZ, Zhang BZ |
220 - 224 |
Silicon nanowires as chemical sensors Zhou XT, Hu JQ, Li CP, Ma DDD, Lee CS, Lee ST |
225 - 231 |
Photoluminescence study of electron-hole recombination dynamics in the vacuum-deposited SiO2/TiO2 multilayer film with photo-catalytic activity Miyashita K, Kuroda S, Tajima S, Takehira K, Tobita S, Kubota H |
232 - 239 |
Thermal rate constants for resonance-supporting reaction barriers by the flux averaging method Caspary M, Berman L, Peskin U |
240 - 247 |
LT-STM study of self-organization of beta-carotene molecular layers on Cu (111) Baro AM, Hla SW, Rieder KH |
248 - 255 |
On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory Poater J, Fradera X, Sola M, Duran M, Simon S |
256 - 256 |
The vacuum-UV absorption spectrum of SF5CF3 (vol 367, pg 697, 2003) Tuckett RP |