| 12977 - 12985 |
Combined genetic algorithm and multiple linear regression (GA-MLR) optimizer: Application to multi-exponential fluorescence decay surface
Fisz JJ |
| 12986 - 12991 |
Conformational analysis. 24. Structure and composition of gaseous oxalyl fluoride, C2F2O2: Electron-diffraction investigation augmented by data from microwave spectroscopy and molecular orbital calculations
Friesen DT, Borgers TR, Hedberg L, Hedberg K |
| 12992 - 13002 |
IR spectrum of the H5O2+ cation in the context of proton disolvates L-H+-L
Stoyanov ES, Reed CA |
| 13003 - 13006 |
Toroidal hopping of a single hole through the circularly-arrayed naphthyl groups in hexanaphthylbenzene cation radical
Chebny VJ, Shukla R, Rathore R |
| 13007 - 13013 |
Investigation of the UV/visible absorption spectra of merocyanine dyes using time-dependent density functional theory
Guillaume M, Champagne B, Zutterman F |
| 13014 - 13021 |
Fingerprints of delocalized transition states in quantum dynamics
von Horsten HF, Rauhut G, Hartke B |
| 13022 - 13028 |
Temperature-dependent complex indices of refraction for crystalline (NH4)(2)SO4
Earle ME, Pancescu RG, Cosic B, Zasetsky AY, Sloan JJ |
| 13029 - 13035 |
Kinetic and product study of the gas-phase reactions of OH radicals, NO3 radicals, and O-3 with (C2H5O)(2)P(S)CH3 and (C2H5O)(3)PS
Aschmann SM, Atkinson R |
| 13036 - 13044 |
Theoretical study on the optoelectronic properties of electron-withdrawing substituted diethynylfluorenyl gold(I) complexes
Liao Y, Yang GC, Feng JK, Shi LL, Yang SY, Yang L, Ren AM |
| 13045 - 13057 |
Excited-state ab initio calculations and multidimensional Franck-Condon simulations on guanine
Pugliesi I, Muller-Dethlefs K |
| 13058 - 13067 |
Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals
da Silva G, Bozzelli JW |
| 13068 - 13072 |
Theoretical study of the antioxidant properties of pyridoxine
Matxain JM, Ristila M, Strid A, Eriksson LA |
| 13073 - 13080 |
Molecular electrostatic potentials and hydrogen bonding in alpha-, beta-, and gamma-cyclodextrins
Pinjari RV, Joshi KA, Gejji SP |
| 13081 - 13088 |
A coupled car-parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co2+
Spezia R, Duvail M, Vitorge P, Cartailler T, Tortajada J, Chillemi G, D'Angelo P, Gaigeot MP |
| 13089 - 13098 |
DFT/TDDFT study of Lanthanide(III) mono- and bisporphyrin complexes
Liao MS, Watts JD, Huang MJ |
| 13099 - 13105 |
The nature of variations of ammonia proton affinity in an argon environment
Szymczak JJ, Urban J, Roszak S, Leszczynski J |
| 13106 - 13111 |
Asymptotic extrapolation scheme for large-scale calculations with hybrid coupled cluster and molecular dynamics simulations
Kowalski K, Valiev M |
| 13112 - 13121 |
Interpretation of the gas-phase solvent deuterium kinetic isotope effects in the S(N)2 reaction mechanism: Comparison of theoretical and experimental results in the reaction of microsolvated fluoride ions with methyl halides
Davico GE |
| 13122 - 13122 |
Thermosolvatochromism of betaine dyes revisited: Theoretical calculations of the concentrations of alcohol-water hydrogen-bonded species and application to solvation in aqueous alcohols (vol 110A, pg 10287, 2006)
Bastos EL, Silva PL, El Seoud OA |
