| 4991 - 4994 |
Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality
McCoy AB, Braams BJ, Brown A, Huang XC, Jin Z, Bowman JM |
| 4995 - 4997 |
An accurate theoretical prediction of the zero point vibrational energy of CH5+
Kaledin AL, Kunikeev SD, Taylor HS |
| 4998 - 5006 |
Interligand electron transfer dynamics in [Os(bpy)(3)](2+): Exploring the excited state potential surfaces with femtosecond spectroscopy
Shaw GB, Styers-Barnett DJ, Gannon EZ, Granger JC, Papanikolas JM |
| 5007 - 5015 |
Dielectric relaxation processes in ethanol/water mixtures
Sato T, Buchner R |
| 5016 - 5025 |
Spin-orbit effects in the ground states of singly positive and neutral V-2, VNb, and Nb-2: INDO/S and empirical model calculations
O'Brien TA |
| 5026 - 5033 |
Spin-orbit effects on hyperfine coupling tensors in transition metal complexes using hybrid density functionals and accurate spin-orbit operators
Remenyi C, Reviakine R, Arbuznikov AV, Vaara J, Kaupp M |
| 5034 - 5040 |
Infrared photodissociation spectroscopy of [Mg center dot(H2O)(1-4)](+) and [Mg center dot(H2O)(1-4)center dot Ar](+)
Inokuchi Y, Ohshimo K, Misaizu F, Nishi N |
| 5041 - 5049 |
Electron-transfer emission spectra of a cyanide-bridged, Cr(III)/Ru(II) donor-acceptor complex: High frequency (N-H and C N) vibronic contributions from empirical reorganizational energy profiles
Chen YJ, Xie PH, Endicott JF |
| 5050 - 5056 |
Direct ab initio dynamics study of the unimolecular reaction of CH2FO
Luo Q, Li QS |
| 5057 - 5059 |
Transformation of methane hydrate to carbon dioxide hydrate: In situ Raman spectroscopic observations
Yoon JH, Kawamura T, Yamamoto Y, Komai T |
| 5060 - 5068 |
Substituent effects in the unimolecular fragmentation of anisole dication derivatives
Roithova J, Schroder D, Schwarz H |
| 5069 - 5072 |
Thermal electron attachment to chloroalkanes and Herschbach ionic morse potentials for carbon tetrachloride (CCl4)
Chen ECM, Chen ES |
| 5073 - 5080 |
Ab initio and density functional study of thionitroso XNS and thiazyl isomers XSN, X = H, F, Cl, Br, OH, SH, NH2, CH3, CF3, and SiF3
Denis PA, Ventura ON, Mai HT, Nguyen MT |
| 5081 - 5090 |
Structure, energetics, electronic, and hydration properties of neutral and anionic Al3O6, Al3O7, and Al3O8 clusters
Gowtham S, Lau KC, Deshpande M, Pandey R, Gianotto AK, Groenewold GS |
| 5091 - 5099 |
Theoretical investigation of the anion binding affinities of the uranyl salophene complexes
Brynda M, Wesolowski TA, Wojciechowski K |
| 5100 - 5110 |
Geometries and stabilities of Re-doped Si-n (n=1-12) clusters: A density functional investigation
Han JG, Ren ZY, Lu BZ |
| 5111 - 5116 |
Theoretical prediction of benzyne-like species in pyrene diradicals
Garcia-Cruz I, Martinez-Magadan JM, Bofill JM, Illas F |
| 5117 - 5125 |
Rate constants for the hydrogen abstractions in the OH-initiated oxidation of glycolaldehyde. A variational transition-state theory calculation
Ochando-Pardo M, Nebot-Gil I, Gonzalez-Lafont A, Lluch JM |
| 5126 - 5130 |
A valence bond description of coordinate covalent bonding
Fiorillo AA, Galbraith JM |
| 5131 - 5138 |
Local structure around Cr3+ ions in dilute acetate and perchlorate aqueous solutions
Boyanov MI, Kemner KM, Shibata T, Bunker BA |
