| 12129 - 12137 |
Excited-State Dynamics in fac-[Re(CO)(3)(Me(4)phen)(L)](+)
Patrocinio AOT, Brennaman MK, Meyer TJ, Iha NYM |
| 12138 - 12147 |
Electronic Properties of N(5)-Ethyl Flavinium Ion
Sichula V, Kucheryavy P, Khatmullin R, Hu Y, Mirzakulova E, Vyas S, Manzer SF, Hadad CM, Glusac KD |
| 12148 - 12154 |
On the Directed Gas Phase Synthesis of the Imidoborane Molecule (HNBH) - An Isoelectronic Molecule of Acetylene (HCCH)
Zhang FT, Maksyutenko P, Kaiser RI, Mebel AM, Gregusova A, Perera SA, Bartlett RJ |
| 12155 - 12161 |
On the Analogy of B-BO and B-Au Chemical Bonding in B11O- and B10Au-Clusters
Zhai HJ, Miao CQ, Li SD, Wang LS |
| 12162 - 12167 |
Oxidation of Toluidine Blue by Chlorite in Acid and Mechanisms of the Uncatalyzed and Ru(III)-Catalyzed Reactions: A Kinetic Approach
Jonnalagadda SB, Pare BK |
| 12168 - 12175 |
Self-Association of Acetic Acid in Dilute Deuterated Chloroform. Wide-Range Spectral Reconstructions and Analysis using FTIR Spectroscopy, BTEM, and DFT
Tjahjono M, Cheng SY, Li CZ, Garland M |
| 12176 - 12186 |
Experimental and Chemical Kinetic Modeling Study of 3-Pentanone Oxidation
Serinyel Z, Chaumeix N, Black G, Simmie JM, Curran HJ |
| 12187 - 12194 |
Impact of Molecular Conformation on Barriers to Internal Methyl Rotation: The Rotational Spectrum of m-Methylbenzaldehyde
Shirar AJ, Wilcox DS, Hotopp KM, Storck GL, Kleiner I, Dian BC |
| 12195 - 12201 |
The Hydrogen-Bonded 2-Pyridone Dimer Model System. 2. Femtosecond Mid-Infrared Pump-Probe Study
Yang M, Szyc L, Dreyer J, Nibbering ETJ, Elsaesser T |
| 12202 - 12207 |
High Resolution Millimeter-Wave Spectroscopy of Vinyltellurol
Motiyenko RA, Margules L, Goubet M, Mollendal H, Guillemin JC |
| 12208 - 12215 |
Freeze-Induced Reactions: Formation of Iodine-Bromine Interhalogen Species from Aqueous Halide Ion Solutions
O'Sullivan D, Sodeau JR |
| 12216 - 12230 |
Surface Tensions of Inorganic Multicomponent Aqueous Electrolyte Solutions and Melts
Dutcher CS, Wexler AS, Clegg SL |
| 12231 - 12236 |
Products and Kinetics of the Heterogeneous Reaction of Suspended Vinclozolin Particles with Ozone
Gan J, Yang B, Zhang Y, Shu X, Liu CG, Shu JNA |
| 12237 - 12243 |
Observation of the Crystallization and Supersaturation of Mixed Component NaNO3-Na2SO4 Droplets by FTIR-ATR and Raman Spectroscopy
Tong HJ, Reid JP, Dong JL, Zhang YH |
| 12244 - 12250 |
Ab Initio Studies on the Electronic Structure and Properties of Aluminum Hydrides that Are Analogues of Boron Hydrides
Srinivasu K, Chandrakumar KRS, Ghosh SK |
| 12251 - 12257 |
Substituent and Solvent Effects on Electronic Structure and Spectral Property of ReCl(CO)(3)((NN)-N-boolean AND) ((NN)-N-boolean AND = Glyoxime): DFT and TDDFT Theoretical Studies
Zhang TT, Jia JF, Wu HS |
| 12258 - 12268 |
A G3 Study of the Structure of Carbon-Nitrogen Nanoclusters
Al Mogren MM, El-Azhary AA, Alkiali WZ, Hochlaf M |
| 12269 - 12282 |
Free Energies for Degradation Reactions of 1,2,3-Trichloropropane from ab Initio Electronic Structure Theory
Bylaska EJ, Glaesemann KR, Felmy AR, Vasiliu M, Dixon DA, Tratnyek PG |
| 12283 - 12290 |
Computation of Deuterium Isotope Perturbation of C-13 NMR Chemical Shifts of Alkanes: A Local Mode Zero-Point Level Approach
Yang KS, Hudson B |
| 12291 - 12298 |
Isotropic Non-Heisenberg Behavior in M-3(dpa)(4)Cl-2 Extended Metal Atom Chains
Tabookht Z, Lopez X, Benard M, de Graaf C |
| 12299 - 12304 |
Experimental and Computed Absolute Redox Potentials of Polycyclic Aromatic Hydrocarbons are Highly Linearly Correlated Over a Wide Range of Structures and Potentials
Davis AP, Fry AJ |
| 12305 - 12317 |
Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra
Bravaya KB, Kostko O, Dolgikh S, Landau A, Ahmed M, Krylov AI |
| 12318 - 12322 |
Transition-Metal-Doped Aluminum Hydrides as Building Blocks for Supramolecular Assemblies
Liu JJ, Yu JM, Ge QF |
| 12323 - 12329 |
Conformational and Thermodynamic Properties of Gaseous Levulinic Acid
Reichert D, Montoya A, Liang XA, Bockhorn H, Haynes BS |
| 12330 - 12333 |
Appraisal of Through-Bond and Through-Space Substituent Effects via Molecular Electrostatic Potential Topography
Sayyed FB, Suresh CH, Gadre SR |
| 12334 - 12344 |
A Theoretical Approach for Accurate Predictions of the Enthalpies of Formation of Carotenes
Lii JH, Liao FX, Hsieh HY, Hu CH |
| 12345 - 12352 |
Electronic and Magnetic Structure of Transition-Metal Carbodiimides by Means of GGA plus U Theory
Xiang HP, Dronskowski R, Eck B, Tchougreeff AL |
| 12353 - 12361 |
Evidence for the Formation of an Interstellar Species, HCS+, during the Ionic Fragmentation of Methyl Thiofluoroformate, FC(O)SCH3, in the 100-1000 eV Region
Gerones M, Erben MF, Romano RM, Cavasso RL, Della Vedova CO |
| 12362 - 12362 |
Thermochemistry of Organic Reactions in Microporous Oxides by Atomistic Simulations: Benchmarking against Periodic B3LYP (vol 114A, pg 7391, 2010)
Bleken F, Svelle S, Lillerud KP, Olsbye U, Arstad B, Swang O |
