| 11903 - 11905 |
Nature of the chemical bond in protonated methane
Fleming FP, Barbosa AGH, Esteves PM |
| 11906 - 11918 |
Femtodynamics reflected in nanoseconds: Bimolecular free electron transfer in nonpolar media
Brede O, Naumov S |
| 11919 - 11925 |
Effect of high-frequency modes and hot transitions on free energy gap dependence of charge recombination rate
Feskov SV, Ionkin VN, Ivanov AI |
| 11926 - 11937 |
Photoisomerization of Disperse Red 1 studied with transient absorption spectroscopy and quantum chemical calculations
Poprawa-Smoluch M, Baggerman J, Zhang H, Maas HPA, De Cola L, Brouwer AM |
| 11938 - 11943 |
Rotational spectrum and structure of the carbonyl sulfide-trifluoromethane weakly bound dimer
Serafin MM, Peebles SA |
| 11944 - 11953 |
Atmospheric chemistry of perfluoroaldehydes (CxF2x+1CHO) and fluorotelomer aldehydes (CxF2x+1CH2CHO): Quantification of the important role of photolysis
Chiappero MS, Malanca FE, Arguello GA, Wooldridge ST, Hurley MD, Ball JC, Wallington TJ, Waterland RL, Buck RC |
| 11954 - 11957 |
The electronic spectrum of AuO: A combined theoretical and experimental study
O'Brien LC, Oberlink AE, Roos BO |
| 11958 - 11967 |
Excited-state proton transfer through water bridges and structure of hydrogen-bonded complexes in 1H-pyrrolo[3,2-h] quinoline: Adiabatic time-dependent density functional theory study
Kyrychenko A, Waluk J |
| 11968 - 11974 |
Platinum testbeds: Interaction with oxygen
Saenz LR, Balbuena PB, Seminario JM |
| 11975 - 11987 |
Charge transfer study through the determination of the ionization energies of tetrapeptides X3-Tyr, X = Gly, Ala, or Leu. Influence of the inclusion of one glycine in alanine and leucine containing peptides
Dehareng D, Dive G |
| 11988 - 11994 |
Computational study of multiple-decker sandwich and rice-ball structures of neutral titanium-benzene clusters
Kua J, Tomlin KM |
| 11995 - 12004 |
Density functional study of the C-13 NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes
Zurek E, Pickard CJ, Walczak B, Autschbach J |
| 12005 - 12009 |
Koopmans' theorem for large molecular systems within density functional theory
Luo J, Xue ZQ, Liu WM, Wu JL, Yang ZQ |
| 12010 - 12016 |
Successive attachment of electrons to protonated guanine: (G+H)(center dot) radicals and (G+H)(-) anions
Zhang JD, Xie Y, Schaefer HF |
| 12017 - 12025 |
Study of the C(P-3)+OH((XII)-I-2)-> CO(X-1 Sigma(+)(g))+H(S-2) reaction: A fully global ab initio potential energy surface of the X(2)A' state
Zanchet A, Bussery-Honvault B, Honvault P |
| 12026 - 12034 |
Silicon hydride clusters Si5H(n) (n=3-12) and their anions: Structures, thermochemistry, and electron affinities
Li CP, Li XJ, Yang JC |
| 12035 - 12043 |
Combined multireference configuration interaction/molecular dynamics approach for calculating solvatochromic shifts: Application to the n(O)->pi* electronic transition of formaldehyde
Xu ZR, Matsika S |
| 12044 - 12054 |
Ab initio prediction of the gas- and solution-phase acidities of strong Bronsted acids: The calculation of pK(a) values less than -10
Gutowski KE, Dixon DA |
| 12055 - 12062 |
Gas phase ion thermochemistry of tetraaza complexes such as CyclamM(2+) with H2O, CH3OH, NH3, and other ligands, where M2+ = Mn2+, Ni2+, Cu2+, and Zn2+
Blades AT, Kebarle P |
| 12063 - 12071 |
Negative-tension instability of scroll waves and Winfree turbulence in the Oregonator model
Alonso S, Sagues F, Mikhailov AS |
| 12072 - 12072 |
Density functional studies of actinyl aquo complexes studied using small-core effective core potentials and a scalar four-component relativistic method (vol 109A, PG 10967, 2005)
Shamov GA, Schreckenbach G |
