227 - 232 |
Molecular electronic properties and vibrational characteristics of PCCN... HX/DX (X = F, Cl, Br) inter-molecular complexes Varadwaj PR, Husain MM |
233 - 238 |
Rate constants of the gas-phase reactions of CH3OOH with O-3 and NOx at 293 K Chen ZM, Wang CX |
239 - 242 |
Blue and red shifts in F3C-H center dot center dot center dot B (B = FH, ClH, OH2, SH2 and Cl-) complexes predicted by a perturbative model McDowell SAC |
243 - 246 |
First principles quantum dynamics study reveals subtle resonance in polyatomic reaction: The case of F+CH4 -> HF+CH3 Chu TS, Zhang X, Ju LP, Yao L, Han KL, Wang ML, Zhang JZH |
247 - 251 |
Novel compounds with cobalt, copper, and nickel dimers sandwiched between benzene molecules: A DFT study Zhou J, Wang WN, Fan KN |
252 - 256 |
An experimental study on electronic excited states of O-2(-) Aravind G, Gupta AK, Krishnamurthy M |
257 - 263 |
Clusters of the hydronium ion (H3O+) with H-2, N-2 and CO molecules Mabourki R, Ibrahim Y, Xie EL, Mautner MMN, El-Shall MS |
264 - 267 |
The relationship between the energy of activation for the proton-movement and the difference in proton affinities of bonded partners in double well hydrogen bonds Lankau T, Yu CH |
268 - 272 |
Solvent-enabled photodissociation of CO2- in water clusters Habteyes T, Velarde L, Sanov A |
273 - 278 |
A DFT study of O-2 adsorption on periodic GaN (0001) and (000(1)over-bar) surfaces Hu CL, Li JQ, Zhang YF, Hu XL, Lu NX, Chen Y |
279 - 284 |
Two photoisomerization mechanisms of 4-amino-3-penten-2-one: Hydrogen-atom migration and internal rotation Yaehata H, Nagaya M, Kudoh S, Nakata M |
285 - 288 |
Impedance experimentation for an electrode interface in human fetal tissue: Novel pathological regime of anomalous diffusion Ovadia M, Fayn E, Zavitz DH |
289 - 294 |
On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: Acetone in water D'Abramo M, Aschi M, Di Nola A, Amadei A |
295 - 299 |
Relaxation of silver ions in superionic borate glasses Bhattacharya S, Ghosh A |
300 - 306 |
Magnetic field effect on pyrene-DMA exciplex luminescence in non-aqueous AOT reverse micelle Das D, Nath DN, Parui PP, Chowdhury M |
307 - 311 |
Kinetics of J-aggregation of a thiacarbocyanine dye in aqueous solution: Novel aggregate mediated by alcohols and metal ions Chibisov AK, Slavnova TD, Gorner H |
312 - 315 |
Re-entrant of normal dielectric permittivity-voltage hysteresis due to molecular relaxation in SmC* phase Rahman M, Bhattacharyya SS, Chaudhuri BK, Yoshizawa A |
316 - 320 |
Ultralong single-crystal TiO2-B nanowires: Synthesis and electrochemical measurements Wei MD, Qi ZM, Ichihara M, Honma I, Zhou HS |
321 - 326 |
Al-27 NMR experiments and quadrupolar parameter ab initio calculations: Crystallographic structure refinement of beta-Ba3AlF9 Body M, Silly G, Legein C, Buzare JY, Calvayrac F, Blaha P |
327 - 332 |
Ordered inclusion of endohedral fullerenes N@C-60 and P@C-60 in a crystalline matrix Naydenov B, Spudat C, Harneit W, Suss HI, Hulliger J, Nuss J, Jansen M |
333 - 339 |
Two-photon absorption of new multibranched chromophore with dibenzothiophene core Wang XM, Yang P, Li B, Jiang WL, Huang W, Qian SX, Tao XT, Jiang MH |
340 - 344 |
Structural and photoluminescent properties of ZnO hexagonal nanoprisms synthesized by microemulsion with polyvinyl pyrrolidone served as surfactant and passivant Sui XM, Liu YC, Shao CL, Liu YX, Xu CS |
345 - 352 |
Synthesis and characterization of long strands of nitrogen-doped single-walled carbon nanotubes Villalpando-Paez F, Zamudio A, Elias AL, Son H, Barros EB, Chou SG, Kim YA, Muramatsu H, Hayashi T, Kong J, Terrones H, Dresselhaus G, Endo M, Terrones M, Dresselhaus MS |
353 - 357 |
Radiative and nonradiative processes of meridional and facial isomers of heteroleptic irldium-trischelete complexes Karatsu T, Ito E, Yagai S, Kitamura A |
358 - 363 |
Luminescence properties of sol-gel derived spherical SiO2@Gd-2(WO4)(3): Eu3+ particles with core-shell structure Jia PY, Liu XM, Yu M, Luo Y, Fang J, Lin J |
364 - 368 |
Fragmentation of hydrated thymine clusters in the gas phase by the interaction with UV photons Kagawa T, Sato F, Aikawa K, Kiyohara T, Kato Y, Iida T |
369 - 373 |
Global optimization of proteins using a dynamical lattice model: Ground states and energy landscapes Dressel F, Kobe S |
374 - 378 |
Theoretical study on hula-twist motion of penta-2,4-dieniminium on the S-1 surface under isolated condition by the complete active space self-consistent field theory Sumita M, Saito K |
379 - 386 |
Encapsulation of 3-hydroxyflavone and fisetin in beta-cyclodextrins: Excited state proton transfer fluorescence and molecular mechanics studies Banerjee A, Sengupta PK |
387 - 393 |
Interaction of ICT receptor with serum albumins in aqueous buffer Wu FY, Ji ZJ, Wu YM, Wan XF |
394 - 398 |
Transient stochastic bistable kinetics of gene transcription during the cellular growth Zhdanov VP |
399 - 402 |
The effect of breathing vibration on the charge carrier mobility of a guanine-cytosine base pair stack Beleznay FB, Szekeres Z, Bogar F, Ladik J |
403 - 408 |
Positron annihilation in the dense plasma-embedded Ps(-) Kar S, Ho YK |
409 - 413 |
A unified formalism for many-body polarization and dispersion: The quantum Drude model applied to fluid xenon Whitfield TW, Martyna GJ |
414 - 419 |
The nature of singular coexistence-curve diameters of liquid-liquid phase equilibria Cerdeirina CA, Anisimov MA, Sengers JV |
420 - 424 |
Diagonalization-free initial guess to SCF calculations for large molecules Szekeres Z, Mezey PG, Surjan PR |
425 - 431 |
Direct fit of extended Hartree-Fock approximate correlation energy model to spectroscopic data Varandas AJC, Rodrigues SPJ, Batista VMO |
432 - 436 |
Turing pattern formation in coupled reaction-diffusion systems: Effects of sub-environment and external influence Ji L, Li QS |
437 - 442 |
Homofugality: A new reactivity index describing the leaving group ability in homolytic substitution reactions Guerra D, Castillo R, Andres J, Fuentealba P, Aizman A, Contreras R |
443 - 448 |
Wave packet dynamics with adaptive grids: The moving boundary truncation method Pettey LR, Wyatt RE |
449 - 452 |
Solvation effect on resonance structure: Extracting valence bond-like character from molecular orbitals Ikeda A, Yokogawa D, Sato H, Sakaki S |
453 - 455 |
Comment on'Analysis of similarity/dissimilarity of DNA sequences based on a 3-D graphical representation' [Chem. Phys. Lett., 411 (2005) 248] Hu J, Wang AH |
456 - 457 |
Comment on'Analysis of similarity/dissimilarity of DNA sequences based on a 3-D graphical representation' - Reply to comment on Chem. Phys. Lett. 411 (2005) 248 Yao YH, Liu YZ, Wang TM |