1 - 10 |
Conformational structures and optical rotation of serine and cysteine Pecul M |
11 - 14 |
Quantitative determination of the Q(1) quadrupole hydrogen absorption in the near infrared via off-axis ICOS Gupta M, Owano T, Baer DS, O'Keefe A |
15 - 18 |
Kinetic study of the collisional quenching of spin-orbitally excited atomic chlorine, Cl(P-2(1/2)), by H2O, D2O, and H2O2 Kono M, Takahashi K, Matsumi Y |
19 - 23 |
Coherent Raman spectroscopy with frequency-shifted and shaped pulses from a photonic-crystal fiber Ivanov AA, Linik YM, Akimov DA, Alfimov MV, Siebert T, Kiefer W, Zheltikov AM |
24 - 29 |
Theoretical study of a hybrid type dumbbell-like fullerene dimer C-60=C=C-70 Gao XF, Zhao YL, Yuan H, Chen ZL, Chai ZF |
30 - 35 |
g Tensor computation of the thlopheno-1,3,2-dithiazolyl radical by the coupled-perturbed Kohn-Sham hybrid density functional method Mattar SM, Sanford J, Goodfellow AD |
36 - 39 |
Nanoplatelets made from MoS2 and WS2 Bertram N, Cordes J, Kim YD, Gantefor G, Gemming S, Seifert G |
40 - 45 |
Electronic structures and hydrogenation of a chiral single-wall (6,4) carbon nanotube: A density functional theory study Jia GX, Li JQ, Zhang YF |
46 - 49 |
Synthesis of porous and hollow microspheres of nanocrystalline Mn2O3 Yang ZH, Zhang WX, Wang Q, Song XM, Qian YT |
50 - 53 |
High efficiency red electrophosphorescent polymer light-emitting diode Chang CY, Hsieh SN, Wen TC, Guo TF, Cheng CH |
54 - 58 |
Monte Carlo simulation of trap effects on space-charge field formation Lee C, Yang M, Lee NS, Kim N |
59 - 64 |
A theoretical study on the behaviour of a neutral 2-(amino)-1-cyclopentene-1-dithiocarboxylate compound: Rotamers and hydrogen transfer effects Steyl G |
65 - 70 |
Terahertz spectroscopy of solid serine and cysteine Korter TM, Balu R, Campbell MB, Beard MC, Gregurick SK, Heilweil EJ |
71 - 74 |
Study of EPR spectra for octahedral Fe3+ center in lutetium aluminum garnet Dong D, Kuang XY, Wang H, Guo JJ, Zhou KW |
75 - 78 |
Size dependence on infrared spectra of NaGdF4 nanocrystals Bednarkiewicz A, Maczka M, Strek W, Hanuza J, Karbowiak M |
79 - 83 |
High-symmetry global minimum geometries for small mixed Ar/Xe Lennard-Jones clusters Cleary SM, Mayne HR |
84 - 89 |
Synthesis, crystal structure, magnetic study on a two-dimensional polynuclear complex [Ni(mu(1,3)-SCN)(2)(mu-mpyo)](n) Shi JM, Sun YM, Liu Z, Liu LD |
90 - 95 |
Direct observation of molecularly-aligned molecules in the second physisorbed layer-CO/Ag(110) Lee JG, Hong SH, Ahner J, Zhao XC, Chen LA, Johnson JK, Yates JT |
96 - 99 |
How is NO bound to reduced copper nitrite reductase? A DFT study Sundararajan M, Surendran R, Hillier IH |
100 - 104 |
Hyperfine coupling constants for N-2(+), BO, AlO and GaO in rare gas matrices, using the polarizable continuum model Grein F |
105 - 108 |
Selective synthesis of metastable MoO2 nanocrystallites through a solution-phase approach Chen XY, Zhang ZJ, Li XX, Shi CW, Li XL |
109 - 114 |
Raman scattering study for heat-treated carbon nanotubes: The origin of approximate to 1855cm(-1) Raman band Jinno M, Ando Y, Bandow S, Fan J, Yudasaka M, Iijima S |
115 - 118 |
Individual solubilization of single-walled carbon nanotubes using totally aromatic polyimide Shigeta M, Komatsu M, Nakashima N |
119 - 125 |
A matrix-free laser desorption method for production of nucleobase clusters and their hydrates Saigusa H, Tomioka A, Katayama T, Iwase E |
126 - 131 |
A correlation functional for use with exact exchange in Kohn-Sham density functional theory Cafiero M |
132 - 136 |
Bending the rules: Contrasting vacancy energetics and migration in graphite and carbon nanotubes Krasheninnikov AV, Lehtinen PO, Foster AS, Nieminen RM |
137 - 141 |
A combined photothermal and molecular dynamics method for determining molecular volume changes Ridley C, Stern AC, Green T, DeVane R, Space B, Miksosvska J, Larsen RW |
142 - 147 |
Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units Nakano M, Kubo T, Kamada K, Ohta K, Kishi R, Ohta S, Nakagawa N, Takahashi H, Furukawa S, Morita Y, Nakasuji K, Yamaguchi K |
148 - 151 |
Solvent influence on the conformation of 2,2'-dinitrobiphenyl Ramaekers R, Pajak J, Maes G, Pawelka Z |
152 - 157 |
Structural evolution of AlN nano-structures: Nanotips and nanorods Shi SC, Chattopadhyay S, Chen CF, Chen KH, Chen LC |
158 - 162 |
The use of the promolecular charge density to approximate the penetration contribution to intermolecular electrostatic energies Spackman MA |
163 - 165 |
Effective interatomic interaction in a low-density Bose-Einstein condensate Geltman S |
166 - 169 |
Why do cubic nanoparticles favor a square array? Mechanism of shape-dependent arrangement in nanocube self-assemblies Yamamuro S, Sumiyama K |
170 - 173 |
Effect of stoichiometry and microstructure on hydrolysis in MoO3 films Sian TS, Reddy GB |
174 - 178 |
Photoluminescence and photocatalytic properties of SrSnO3 perovskite Zhang WF, Tang JW, Ye JH |
179 - 184 |
Sum rule constraints on Kubo-transformed correlation functions Braams BJ, Miller TF, Manolopoulos DE |
185 - 188 |
Luminescence properties of Pr3+ in titanates and vanadates: Towards a criterion to predict P-3(0) emission quenching Boutinaud P, Mahiou R, Cavalli E, Bettinelli M |
189 - 195 |
Configuration interaction study of the electronic spectrum of SnSe+ Giri D, Das KK |
196 - 201 |
Influence of mesoscopic ordering on the photoexcitation transfer dynamics in supramolecular assemblies of oligo-p-phenylenevinylene Chang MH, Hoeben FJM, Jonkheijm P, Schenning APHJ, Meijer EW, Silva C, Herz LM |
202 - 207 |
Design of reduced molecular models by integral equation theory Kast SM, Hauptmann W, Schilling B |
208 - 216 |
Global analysis of reaction pathways on the potential energy surface of cyanoacetylene by the scaled hypersphere search method Yang X, Maeda S, Ohno K |
217 - 222 |
Thermo-mechanical properties of tri-functionally crosslinked liquid single crystal elastomers Cho DU, Yusuf Y, Cladis PE, Brand HR, Finkelmann H, Kai S |
223 - 229 |
Substituent and solvent effects on the UV/vis absorption spectra of 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-eyano-2-pyridones Mijin DZ, Uscumlic GS, Perisic-Janjic NU, Valentic NV |
230 - 234 |
Dielectric permittivity of glycerol in the high viscosity region Blazhnov IV, Malomuzh NP, Lishchuk SV |
235 - 238 |
Fer expansion for effective propagators and Hamiltonians in NMR Madhu PK, Kurur ND |
239 - 244 |
Density-functional calculations on DNA-DNA, PNA-DNA and PNA-PNA double strands Natsume T, Ishikawa Y, Dedachi KI, Kurita N |
245 - 249 |
A polarizable model of water for molecular dynamics simulations of biomolecules Lamoureux G, Harder E, Vorobyov IV, Roux B, MacKerell AD |
250 - 254 |
Theoretical studies on the O(P-3)+H-2 -> OH+H reaction Wang WL, Rosa C, Brandao J |
255 - 259 |
Hydrodynamic radius of circular DNA is larger than that of linear DNA Araki S, Nakai T, Hizume K, Takeyasu K, Yoshikawa K |
260 - 263 |
Pressure-polymerization of C-60 molecules in a carbon nanotube Kawasaki S, Hara T, Yokomae T, Okino F, Touhara H, Kataura H, Watanuki T, Ohishi Y |
264 - 267 |
Theoretical study of cytosine-Mg complex Prado MAS, Garcia E, Martins JBL |
268 - 271 |
Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme Watney JB, Soudackov AV, Wong KF, Hammes-Schiffer S |
272 - 280 |
Theoretical study of [XN6](2-) (X = O, S, Se, Te) systems Cheng LP, Liu Y |
281 - 285 |
Origin of photoinduced third harmonic generation anisotropy for quinoline derivatives molecules embedded into polymethylmethacrylate polymer matrix Kityk IV, Fuks-Janczarek I, Gondek E, Lin JH, Lai ND, Hsu CC, Szlachcic P |
286 - 291 |
Density functional theory calculation of electron spectra of formaldehyde Chong DP, Takahata Y |
292 - 295 |
Positronium formation and inhibition in binary ionic solid solutions of general formula Al(1-x)Cr(x)K(SO4)(2)center dot 12 H2O: A positron annihilation lifetime and Doppler broadening spectroscopy study Machado JC, de Lima GM, Oliveira FC, Marzano IM |