| 8071 - 8073 |
On the accuracy of an analytical potential energy surface for the CH4+Clreaction and the quasi-classical trajectory calculations for thermal rate constants
Rangel C, Espinosa-Garcia J, Corchado JC |
| 8074 - 8080 |
Femtosecond dynamics after ionization: 2-Phenylethyl-N,N-dimethylamine as a model system for nonresonant downhill charge transfer in peptides
Lehr L, Horneff T, Weinkauf R, Schlag EW |
| 8081 - 8087 |
Ionization of cyclic aromatic amines by free electron transfer: Products are governed by molecule flexibility
Brede O, Maroz A, Hermann R, Naumov S |
| 8088 - 8095 |
Photoinduced intramolecular electron-transfer processes in [60]fullerene and N,N-bis(biphenyl)aniline molecular systems in solutions
Sandanayaka ASD, Ikeshita K, Rajkumar GA, Furusho Y, Araki Y, Takata T, Ito O |
| 8096 - 8105 |
Conformational pathways of saturated six-membered rings. A static and dynamical density functional study
Ionescu AR, Berces A, Zgierski MZ, Whitfield DM, Nukada T |
| 8106 - 8112 |
Electronic interactions between pi-stacked chromophores in nonsymmetric tertiary naphthyl di- and polyarylureas
Delos Santos GB, Lewis FD |
| 8113 - 8120 |
Exploring the extent of magnetic field effect on intermolecular photoinduced electron transfer in different organized assemblies
Choudhury SD, Basu S |
| 8121 - 8132 |
Adenine radicals in the gas phase: An experimental and computational study of hydrogen atom adducts to adenine
Chen XH, Syrstad EA, Nguyen MT, Gerbaux P, Turecek F |
| 8133 - 8139 |
Search for stratospheric bromine reservoir species: Theoretical study of the photostability of mono-, tri-, and pentacoordinated bromine compounds
Lee TJ, Mejia CN, Beran GJO, Head-Gordon M |
| 8140 - 8148 |
Aerosol chamber study of optical constants and N2O5 uptake on supercooled H2SO4/H2O/HNO3 solution droplets at polar stratospheric cloud temperatures
Wagner R, Naumann KH, Mangold A, Mohler O, Saathoff H, Schurath U |
| 8149 - 8157 |
Kinetics of the unimolecular decomposition of the 2-chloroallyl radical
Shestov AA, Popov KV, Knyazev VD |
| 8158 - 8167 |
Theoretical investigation of the hydrogen abstraction reaction of the OH radical with CH3CHF2 (HFC152-a): A dual level direct density functional theory dynamics study
Taghikhani M, Parsafar GA, Sabzyan H |
| 8168 - 8179 |
Improved morphed potentials for Ar-HBr including scaling to the experimentally determined dissociation energy
Wang Z, McIntosh AL, McElmurry BA, Walton JR, Lucchese RR, Bevan JW |
| 8180 - 8186 |
Role of the direct reaction H2S+SO2 in the homogeneous Claus reaction
Sendt K, Haynes BS |
| 8187 - 8198 |
Protic conversion of nitrile into azavinylidene complexes of rhenium, a mechanistic theoretical study
Kuznetsov ML, Nazarov AA, Pombeiro AJL |
| 8199 - 8208 |
Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)(3)CCN-BF3: IR spectra, crystallography, and computations
Phillips JA, Giesen DJ, Wells NP, Halfen JA, Knutson CC, Wrass JP |
| 8209 - 8217 |
Dibenzo-p-dioxin. An ab initio CASSCF/CASPT2 study of the pi-pi* and pi-pi* valence excited states
Ljubic I, Sabljic A |
| 8218 - 8224 |
Effect of temperature and concentration on the structure of tert-butyl alcohol/water mixtures: Near-infrared spectroscopic study
Wojtkow D, Czarnecki MA |
