1 - 7 |
Nanocomposites: synthesis and elemental mapping of aligned B-C-N nanotubes Golberg D, Bando Y, Mitome M, Kurashima K, Grobert N, Reyes-Reyes M, Terrones H, Terrones M |
8 - 12 |
Suppression and enhancement of tunneling ion recombination of electron bubbles in solid para-hydrogen-ortho-hydrogen mixtures at 4.2 K: controlling factors of tunneling reaction Miyazaki T, Fukuta H, Hanabusa M, Kumada T, Kumagai J |
13 - 21 |
Spin dynamics and zero-field splitting constants of the triplet exciplex generated by photoinduced electron transfer reaction between erythrosin B and duroquinone Tachikawa T, Kobori Y, Akiyama K, Katsuki A, Steiner UE, Tero-Kubota S |
22 - 30 |
On the insensitivity of the non-adiabatic relaxation of solvated electrons to the details of their local solvent environment Martini IB, Schwartz BJ |
31 - 37 |
Direct simulation of non-equilibrium kinetics under shock conditions in nitrogen Bruno D, Capitelli M, Esposito F, Longo S, Minelli P |
38 - 46 |
Diatomic bond lengths and vibrational frequencies: assessment of recently developed exchange-correlation functionals Menconi G, Tozer DJ |
47 - 52 |
Electronic polarization at surfaces and thin films of organic molecular crystals: PTCDA Tsiper EV, Soos ZG, Gao W, Kahn A |
53 - 58 |
Spectroscopic analysis of total-internal-reflection stimulated Raman scattering from the air/water interface under the strong focusing condition Yui H, Fujiwara H, Sawada T |
59 - 64 |
Rate constants and kinetic isotope effects for Cl+CH4 -> ClH+CH3: a comparison between LSC-IVR and statistical theories Martinez-Nunez E, Fernandez-Ramos A, Vazquez SA, Rios MA |
65 - 71 |
Photochemical and photophysical processes in the molecular cluster of fluorenone Matsushita Y, Ichimura T, Hikida T |
72 - 78 |
Predicting experimental complexation-induced changes in H-1 NMR chemical shift for complexes between metalloporphyrins and ligands using the Ab initio/GIAO-HF methodology Gomila RM, Quinonero D, Garau C, Frontera A, Ballester P, Costa A, Deya PM |
79 - 84 |
Radiowave dielectric investigation of boron compounds distribution in cultured tumour cells: relevance to boron neutron capture therapy Capuani S, Gili T, Cametti C, Maraviglia B, Colasanti M, Muolo M, Venturini G |
85 - 90 |
Li insertion in thin film anatase TiO2: identification of a two-phase regime with photoelectron spectroscopy Henningsson A, Andersson MP, Uvdal P, Siegbahn H, Sandell A |
91 - 98 |
Hybrid quantum control of photodesorption of NO from a metal surface Nakagami K, Ohtsuki Y, Fujimura Y |
99 - 103 |
The effect of the basis set superposition error on the geometry optimization of the p-DFB-N-2 complex Chen FW, Davidson ER |
104 - 110 |
Non-adiabatic bending dissociation of OCS: the effect of bending excitation on the transition probability Katayanagi H, Suzuki T |
111 - 116 |
Pressure dependent radiative quantum yields of the prompt and delayed luminescence of polyfluorene films Rothe C, Hintschich SI, Palsson LO, Monkman AP, Guentner R, Scherf U |
117 - 122 |
Purification of the first-order density matrix using steepest descent and Newton-Raphson methods Pino R, Scuseria GE |
123 - 132 |
Theoretical studies on the oxetane center dot center dot center dot HCl and thietane center dot center dot center dot HCl complexes Rode JE, Dobrowolski JC |
133 - 138 |
Adsorption of merocyanine dye on rutile TiO2(110) Matsuura AY, Obayashi T, Kondoh H, Ohta T, Oji H, Kosugi N, Sayama K, Arakawa H |
139 - 143 |
An ab initio study on the formation of interstellar tricarbon isomers 1-C-3(X-1 Sigma(+)(g)) and c-C-3(X(3)A'(2)) Mebel AM, Kaiser RI |
144 - 148 |
Electronic structure and magnetic anisotropy of the [Co-4(hmp)(4)(CH3OH)(4)Cl-4] molecule Baruah T, Pederson MR |
149 - 154 |
Direct trajectory simulation on the growth of carbon nanotubes Kumeda Y, Taketsugu T, Hirano T |
155 - 160 |
Pure rotational spectrum of 2-pyridone center dot center dot center dot water and quantum chemical calculations on the tautomeric equilibrium 2-pyridone center dot center dot center dot water/2-hydroxypyridine center dot center dot center dot water Maris A, Ottaviani P, Caminati W |
161 - 166 |
Information storage using a cluster of dipolar-coupled spins Khitrin AK, Ermakov VL, Fung BM |
167 - 174 |
Cellular interface in diamond crystals from a Fe-Ni-C system at high temperature and high pressure Yin LW, Li MS, Hao ZY, Wang YX |
175 - 181 |
Orbitals from a self-interaction free Kohn-Sham potential as a single electron basis for ab initio methods Hupp T, Engels B, Della Sala F, Gorling A |
182 - 188 |
Curvature-induced polarization in carbon nanoshells Dumitrica T, Landis CM, Yakobson BI |
189 - 193 |
Time-resolved cavity ring-down spectroscopic study of the gas phase and surface loss rates of Si and SiH3 plasma radicals Hoefnagels JPM, Stevens AAE, Boogaarts MGH, Kessels WMM, van de Sanden MCM |
194 - 194 |
Proposal for direct measurement of reorganization energies in electron-transfer proteins by the V-I characteristics of photoinduced STM currents via large adsorbates with a redox active center (vol 348, pg 387, 2001) Hori Y, Sumi H |