| 11219 - 11222 |
Pseudo-Jahn-Teller effect as the origin of the exalted frequency of the b(2u) Kekule mode in the 1(1)B(2u) excited state of benzene
Blancafort L, Sola M |
| 11223 - 11229 |
Quantum simulation of solution phase intramolecular electron transfer rates in betaine-30
Kim H, Hwang H, Rossky PJ |
| 11230 - 11236 |
Energy-flow dynamics in the molecular channel of propanal photodissociation, C2H5CHO -> C2H6+CO: Direct ab initio molecular dynamics study
Kurosaki Y |
| 11237 - 11243 |
On the ultrafast infrared spectroscopy of anion hydration shell hydrogen bond dynamics
Nigro B, Re S, Laage D, Rey R, Hynes JT |
| 11244 - 11251 |
Study of the structure, energetics, and vibrational properties of small ammonia clusters (NH3)n (n=2-5) using correlated ab initio methods
Janeiro-Barral PE, Mella M |
| 11252 - 11259 |
Symmetry properties of vibrational modes in mesoporphyrin IX dimethyl ester investigated by polarization-sensitive resonance Raman and CARS spectroscopy
Koster J, Popp J, Kiefer W, Schlucker S |
| 11260 - 11264 |
The K(2)2(3)II(g) state: New observations and analysis
Xie F, Li D, Chu Y, Li L, Magnier S, Sovkov VB, Ivanov VS |
| 11265 - 11278 |
Chemical dynamics of the formation of the 1,3-butadiynyl radical (C4H(X-2 Sigma(+))) and its isotopomers
Gu XB, Guo Y, Mebel AM, Kaiser RI |
| 11279 - 11290 |
Noise perturbation in functional principal component analysis filtering for two-dimensional correlation spectroscopy: Its theory and application to infrared spectra of a poly(3-hydroxybutyrate) thin film
Hu Y, Li BY, Sato H, Noda I, Ozaki Y |
| 11291 - 11297 |
Solvent effects on the S-0(1(1)Ag(-)) -> S-2(1(1)B(u)(+)) transition of beta-carotene, echinenone, canthaxanthin, and astaxanthin in supercritical CO2 and CF3H
Chen ZG, Lee C, Lenzer T, Oum K |
| 11298 - 11314 |
Primary mechanism of the thermal decomposition of tricyclodecane
Herbinet O, Sirjean B, Bounaceur R, Fournet R, Battin-Leclerc F, Scacchi G, Marquaire PM |
| 11315 - 11319 |
Absolute rate coefficients and branching percentages for the reactions of POxCly-+N(S-4(3/2)) and POxCly-+O(P-3) at 298 K in a selected-ion flow tube instrument
Poutsma JC, Midey AJ, Thompson TH, Viggiano AA |
| 11320 - 11323 |
Comparative study of the hypercoordinate ions C7H9+ and C8H9+ by the ab initio/GIAO-CCSD(T) method
Rasul G, Prakash GKS, Olah GA |
| 11324 - 11331 |
Structural and electronic analysis of lanthanide complexes: Reactivity may not necessarily be independent of the identity of the lanthanide atom - A DFT study
Schinzel S, Bindl M, Visseaux M, Chermette H |
| 11332 - 11337 |
Estimation of electronegativity values of elements in different valence states
Li KY, Xue DF |
| 11338 - 11345 |
Structure absorption spectra correlation in a series of 2,6-dimethyl-4-arylpyrylium salts
Manoj N, Ajayakumar G, Gopidas KR, Suresh CH |
| 11346 - 11352 |
Experimental and density functional theory study of the vibrational properties of 2-mercaptobenzimidazole in interaction with gold
Doneux T, Tielens F, Geerlings P, Buess-Herman C |
| 11353 - 11358 |
Characterization of electronic transition energies and trigonal distortion of the (FeO6)(9-) coordination complex in the Al2O3 : Fe3+ system: A simple method for transition-metal ions in a trigonal ligand field
Kuang XY, Cheng L |
| 11359 - 11370 |
The SPASIBA force field for chondroitin sulfate: Vibrational analysis of D-glucuronic and N-acetyl-D-galactosamine 4-sulfate sodium salts
Meziane-Tani M, Lagant P, Semmoud A, Vergoten G |
| 11371 - 11376 |
Ab initio procedure for aqueous-phase pKa calculation: The acidity of nitrous acid
da Silva G, Kennedy EM, Dlugogorski BZ |
| 11377 - 11380 |
Configuration-specific kinetic theory applied to an ideal binary gas mixture
Wiseman FL |
