1 - 6 |
Pseudo-dynamics and band optimizations: Shedding light into conical intersection seams Laino T, Passerone D |
7 - 13 |
The photophysics of organic semiconducting nanospheres: a comprehensive study Piok T, Gadermaier C, Wenzl FP, Patil S, Montenegro R, Landfester K, Lanzani G, Cerullo G, Scherf U, List EJW |
14 - 18 |
beta-cyclodextrin controlled assembling nanostructures from gold nanoparticles to gold nanowires Huang YJ, Di L, Li JH |
19 - 23 |
Stabilization of an excess electron on uracil by a pair of HF molecules: ab initio study Morgado CA, Pichugin KY, Adamowicz L |
24 - 28 |
Investigation of hydrogen bonding in 3-methylindole center dot H2O cluster by mass analyzed threshold ionization Georgiev S, Neusser HJ |
29 - 33 |
Fluctuations in density and concentration of methanol-water mixtures at 7 MPa and 373, 423 K studied by small-angle X-ray scattering Morita T, Nishikawa K |
34 - 38 |
Bond orders and energy components in polymers Mayer I, Knapp-Mohammady M, Suhai S |
39 - 42 |
A dressed TDDFT treatment of the 2Ag states of butadiene and hexatriene Cave RJ, Zhang F, Maitra NT, Burke K |
43 - 50 |
Nonperturbative simulation of pump-probe spectra for electron transfer reactions in the condensed phase Wang HB, Thoss M |
51 - 57 |
Where the two carbon atoms touch in the triple bond in disubstituted acetylenes: the AIM analysis Krygowski TM, Grabowski SJ |
58 - 63 |
Pulsed-laser ablation of Mg in liquids: surfactant-directing nanoparticle assembly for magnesium hydroxide nanostructures Liang CH, Sasaki T, Shimizu Y, Koshizaki N |
64 - 67 |
An ab initio study of the side chain of Nafion Okamoto Y |
68 - 74 |
First experimental evidence of the third conformer of glycolic acid: combined matrix isolation, FTIR and theoretical study Reva ID, Jarmelo S, Lapinski L, Fausto R |
75 - 82 |
The properties of DNA C4'-centered sugar radicals: the importance of the computational model Parr KD, Wetmore SD |
83 - 86 |
A facile preparation of single-crystalline alpha-Mn2O3 nanorods by ammonia-hydrothermal treatment of MnO2 Yuan ZY, Ren TZ, Du GH, Su BL |
87 - 91 |
Atop adsorption site of sulphur head groups in gold-thiolate self-assembled monolayers Roper MG, Skegg MP, Fisher CJ, Lee JJ, Dhanak VR, Woodruff DP, Jones RG |
92 - 95 |
What the stretch frequency spectrum of D2O/Ru(0001) does and does not mean Feibelman PJ |
96 - 100 |
Interaction of functionalized benzene molecules with carbon nanopores Irving DL, Sinnott SB, Lindner AS |
101 - 107 |
A coupled treatment of (1)Sigma(+) and (3)Pi states of AgH molecule Li Y, Libermann HP, Buenker RJ, Pichl L |
108 - 112 |
EPR study of positive holes on phenylene vinylene chains: from dimer to polymer Zezin AA, Feldman VI, Warman JM, Wildeman J, Hadziioannou G |
113 - 118 |
Line shape simulation and saturated absorption spectroscopic measurement of Rb-D-2 transition Bhattacharyya D, Dutta BK, Ray B, Ghosh PN |
119 - 123 |
Optical limiting properties of peripherally modified palladium phthalocyannines doped silica gel glass Zhan HB, Chen WZ, Wang MQ, Zou CL, Zhengchan |
124 - 128 |
The characterization and photocatalytic properties of mesoporous rutile TiO2 powder synthesized through self-assembly of nano crystals Li YZ, Lee NH, Lee EG, Song JS, Kim SJ |
129 - 134 |
On the accuracy of the 3-body fragment molecular orbital method (FMO) applied to density functional theory Fedorov DG, Kitaura K |
135 - 139 |
Structure and properties of non-classical polymers. XIV. Heteronuclear 1-D polymers with 2-azaphenalenyl radicals Dietz F, Mullen K, Baumgarten M, Georgiev V, Tyutyulkov N |
140 - 144 |
Spiral wave dynamics controlled by a square-shaped sensory domain Kheowan OU, Kantrasiri S, Uthaisar C, Gaspar V, Muller SC |
145 - 149 |
Dissociative photoionization of H-2 at high photon energies: uncovering new series of doubly excited states Aoto T, Hikosaka Y, Hall RI, Ito K, Fernandez J, Martin F |
150 - 154 |
On the absorption spectrum and stability of Ag-3(2+) in aqueous solution Dubois V, Seijo M, Archirel P |
155 - 159 |
Molecular simulation study of alkyl-modified silicon crystal under the external electric field Yuan SL, Zhang Y, Li Y |
160 - 164 |
Strain energy and thermal stability of single-walled aluminum nitride nanotubes from first-principles calculations Zhao MW, Xia YY, Tan ZY, Liu XD, Li F, Huang BD, Ji YJ, Mei LM |
165 - 170 |
Optical-optical double resonance probe of the dark state of thiophosgene in supersonic free jet Fujiwara T, Moule DC, Lim EC |
171 - 175 |
Hydrated-electron population dynamics Pshenichnikov MS, Baltuska A, Wiersma DA |
176 - 180 |
Photoconduction studies on GaN nanowire transistors under UV and polarized UV illumination Han S, Jin W, Zhang DH, Tang T, Li C, Liu XL, Liu ZQ, Lei B, Zhou CW |
181 - 185 |
Synthesis of carbon nanohorn particles by simple pulsed arc discharge ignited between pre-heated carbon rods Yamaguchi T, Bandow S, Iijima S |
186 - 190 |
Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolites Deka RC, Roy RK, Hirao K |
191 - 197 |
A theoretical analysis of the photoabsorption spectra of big single-shell spherical fullerenes Ruiz A, Breton J, Llorente JMG |
198 - 203 |
Orientational ordering of short LC rods in an anisotropic liquid crystalline polymer glass Gutman L, Cao JS, Swager TM, Thomas EL |
204 - 208 |
Time-dependent density functional theory study of the absorption spectrum of [Ru(4,4'-COOH-2,2'-bpy)(2)(NCS)(2)] in water solution: influence of the pH De Angelis F, Fantacci S, Selloni A |
209 - 211 |
Gaussian basis sets with the cusp condition Pachucki K, Komasa J |
212 - 217 |
An analysis of turbulent states in the NH3+NO reaction on Pt{100} Irurzun IM, Imbihl R, Vicente JL, Mola EE |
218 - 224 |
An adiabatic chemiluminescent reaction: N(D-2)+H-2 -> NH(A(3)Pi)+H, studied under beam conditions Kowalski A, Pranszke B, Werbowy S, Ottinger C |