1 - 7 |
Geometry and dynamics of formic and acetic acids adsorbed on ice Compoint M, Toubin C, Picaud S, Hoang PNM, Girardet C |
8 - 14 |
A theory of fluorescence depolarization in mesophases with tilted distribution of directors Arcioni A, Tarroni R, Zannoni C |
15 - 21 |
Electronic spectra of indolyl radicals: a time-dependent DFT study Crespo A, Turjanski AG, Estrin DA |
22 - 26 |
Ultrafine and uniform silicon nanowires grown with zeolites Li CP, Sun XH, Wong NB, Lee CS, Lee ST, Teo BK |
27 - 33 |
Locally strong polarity in the solvent effect of nonpolar solvent carbon tetrachloride: the role of atomic quadrupoles Torii H |
34 - 39 |
Nucleus-independent chemical shifts and local aromaticities in large polycyclic aromatic hydrocarbons Aihara J |
40 - 48 |
Two-dimensional Penning ionization electron spectroscopy of carbon disulfide: spectral assignments and anisotropic interactions with a He*(2(3)S) metastable atom Tian SX, Kishimoto N, Ohno K |
49 - 56 |
Emission characteristics of CdS nanoparticles induced by confinement within MCM-41 nanotubes Chae WS, Ko JH, Hwang IW, Kim YR |
57 - 68 |
Algebraic analysis of bent-from-linear transition intensities: the vibronically resolved emission spectrum of methinophosphide (HCP) Ishikawa H, Toyosaki H, Mikami N, Perez-Bernal F, Vaccaro PH, Iachello F |
69 - 74 |
Pore structure of raw and purified HiPco single-walled carbon nanotubes Cinke M, Li J, Chen B, Cassell A, Delzeit L, Han J, Meyyappan M |
75 - 81 |
Stability and bandgap of semiconductor clusters Joswig JO, Roy S, Sarkar P, Springborg M |
82 - 88 |
A cluster model of liquid water and its IR spectroscopic response Bour P |
89 - 94 |
On the convergence of the (Delta E-CCSD(T)-Delta E-MP2) term for complexes with multiple H-bonds Jurecka P, Hobza P |
95 - 100 |
Mechanical and electrical properties of carbon nanotube ribbons Li YH, Wei JQ, Zhang XF, Xu CL, Wu DH, Lu L, Wei BQ |
101 - 109 |
On the O(D-1)+HX reactions (X = Cl, Br): a density functional theory analysis Jalbout AF |
110 - 116 |
K+/Na+ selectivity of KcsA potassium channel analyzed by reference interaction site model (RISM) integral equation theory Cui QZ, Smith VH |
117 - 121 |
Wavelength dependence of ultrafast and large third-order non-linear optical response of polyacetylene nanoparticles Pan XY, Chigarev NV, Jiang HB, Huang WT, Gong QH, Liu CL, Kobryanskii VM, Paraschuk DY |
122 - 128 |
Theory of covalent heterodinuclear magnetic exchange interaction and its application to (MnFeIII)-Fe-III and (FeFeII)-Fe-II spin clusters in complex molecules Kuang XY, Zhou KW |
129 - 134 |
Electronic structure and STM images of self-assembled styrene lines on a Si(100) surface Hofer WA, Fisher AJ, Lopinski GP, Wolkow RA |
135 - 139 |
The extended Wiener index Li XH |
140 - 147 |
Theoretical study of the reaction mechanism of platinum oxide with methane Hwang DY, Mebel AM |
148 - 156 |
A simulation protocol to study proteins in vacuo. Controlled re-folding and re-unfolding transitions Arteca GA, Tapia O |
157 - 163 |
Energy exchange in reactive scattering of hydrogen molecules from a Cu surface Darling GR, Wang ZS, Holloway S |
164 - 169 |
Resolution of overlapping charge-transfer transfer transitions by a combined absorption-MCD-MLD approach Peterson J, Collins TJ, Munck E, Bominaar EL |
170 - 175 |
First hyperpolarizability of the molecular excited states: Calculations for p-nitroaniline and comparison with experiments Faustino WM, Petrov DV |
176 - 183 |
Intermetallic compounds of the heaviest elements: the electronic structure and bonding of dimers of element 112 and its homolog Hg Pershina V, Bastug T, Jacob T, Fricke B, Varga S |
184 - 188 |
Synthesis of SWNTs and MWNTs by a molten salt (NaCl) method Bai JB, Hamon AL, Marraud A, Jouffrey B, Zymla V |
189 - 196 |
Accelerating the calculation of the rovibrational energies of tetraatomic molecules using a two-layer Lanczos algorithm Yu HG |