| 4405 - 4409 |
Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine
Close DM, Crespo-Hernandez CE, Gorb L, Leszczynski J |
| 4410 - 4414 |
Challenges in distinguishing superexchange and hopping mechanisms of intramolecular charge transfer through fluorene ligomers
Goldsmith RH, DeLeon O, Wilson TM, Finkelstein-Shapiro D, Ratner MA, Wasielewski MR |
| 4415 - 4425 |
Excited-state proton transfer in methanol-doped ice in the presence of KF
Uritski A, Huppert D |
| 4426 - 4431 |
Electronic and vibrational spectroscopic investigation of phenylacetylene - Amine complexes. Evidence for the diversity in the intermolecular structures
Singh PC, Patwari GN |
| 4432 - 4436 |
Magnetic field effect on fluorescence in a mixture of N-ethylcarbazole and dimethyl terephthalate in a polymer film in tine presence of electric fields
Awasthi K, Mizoguchi M, Iimori T, Nakabayashi T, Ohta N |
| 4437 - 4443 |
Azo-hydrazone tautomerism in protonated aminoazobenzenes: Resonance Raman spectroscopy and quantum-chemical calculations
Matazo DRC, Ando RA, Borin AC, Santos PS |
| 4444 - 4450 |
Rate coefficients for the reaction of OH with a series of unsaturated alcohols between 263 and 371 K
Cometto PM, Dalmasso PR, Taccone RA, Lane SI, Oussar F, Daele V, Mellouki A, Le Bras G |
| 4451 - 4457 |
Catalytic cycles for the reduction of [UO2](2+) by cytochrome c(7) proteins proposed from DFT calculations
Sundararajan M, Campbell AJ, Hillier IH |
| 4458 - 4464 |
Theoretical study of the nitroalkane thermolysis. 1. Computation of the formation enthalpy of the nitroalkanes, their isomers and radical products
Kiselev VG, Gritsan NP |
| 4465 - 4469 |
Calorimetric study of correlated disordering in [Hdamel](2)[Cu-II(tdpd)(2)]center dot 2THF crystal
Yamamura Y, Shimoi H, Sumita M, Yasuzuka S, Adachi K, Fuyuhiro A, Kawata S, Saito K |
| 4470 - 4476 |
Computational study of the lowest triplet state of ruthenium polypyridyl complexes used in artificial photosynthesis
Borg OA, Godinho SSMC, Lundqvist MJ, Lunell S, Persson P |
| 4477 - 4482 |
Equilibrium structure and torsional barrier of BH3NH3
Demaison J, Lievin J, Csaszar AG, Gutle C |
| 4483 - 4489 |
Addition reactions of alkyl and carboxyl radicals to vinylidene fluoride
Hirunsit P, Balbuena PB |
| 4490 - 4495 |
Hydration of OCS with one to four water molecules in atmospheric and laboratory conditions
Hartt GM, Shields GC, Kirschner KN |
| 4496 - 4500 |
Effect of molecular and lattice structure on hydrogen transfer in molecular crystals of diamino-dinitroethylene and triamino-trinitrobenzene
Kimmel AV, Sushko PV, Shluger AL, Kuklja MM |
| 4501 - 4510 |
Computational study on the aminolysis of beta-hydroxy-alpha,beta-unsaturated ester via the favorable path including the formation of alpha-oxo ketene intermediate
Jin L, Xue Y, Zhang H, Kim CK, Xie DQ, Sen Yan G |
| 4511 - 4520 |
An ab initio study of the low-lying electronic states of YO2 and Franck-Condon simulation of the first photodetachment band of YO2-
Lee EPF, Dyke JM, Mok DKW, Chau FT |
| 4521 - 4526 |
Implementation of a density functional theory-based method for the calculation of the hyperfine A-tensor in periodic systems with the use of numerical and slater type atomic orbitals: Application to paramagnetic defects
Kadantsev ES, Ziegler T |
