| 2087 - 2095 |
Density Functional Calculation of the Structure and Electronic Properties of CunOn (n=1-8) Clusters
Bae GT, Dellinger B, Hall RW |
| 2096 - 2102 |
Photoelectron Imaging Spectroscopy of S-1(B-1(2u) pi,pi*) Benzene via 6(1)1(n) (n=0-3) Levels
Niu DM, Ogi Y, Suzuki YI, Suzuki T |
| 2103 - 2109 |
Carbon Monoxide Adsorption on Silver Doped Gold Clusters
De Haeck J, Veldeman N, Claes P, Janssens E, Andersson M, Lievens P |
| 2110 - 2119 |
Femtosecond Transient Absorption Spectroscopic Study of a Carbonyl-Containing Carotenoid Analogue, 2-(all-trans-Retinylidene)-indan-1,3-dione
Kusumoto T, Kosumi D, Uragami C, Frank HA, Birge RR, Cogdell RJ, Hashimoto H |
| 2120 - 2129 |
Medium Effects on the Direct Cis-Trans Photoisomerization of 1,4-Diphenyl-1,3-butadiene in Solution
Saltiel J, Krishna TRS, Laohhasurayotin K, Ren YJ, Phipps K, Davis PH, Yee WA |
| 2130 - 2138 |
An Evolutionary Algorithm for the Global Optimization of Molecular Clusters: Application to Water, Benzene, and Benzene Cation
Llanio-Trujillo JL, Marques JMC, Pereira FB |
| 2139 - 2147 |
Kinetic and Mechanistic Investigations of Multielectron Transfer Reactions Induced by Stored Electrons in TiO2 Nanoparticles: A Stopped Flow Study
Mohamed HH, Mendive CB, Dillert R, Bahnemann DW |
| 2148 - 2154 |
Solvation Structure of I- and Na+ on the Surface of NaI Aqueous Solution Studied by Photodetachment Spectroscopy in Combination with Mass Spectrometry
Shoji M, Kaniwa K, Hiranuma Y, Maselli O, Mafune F |
| 2155 - 2159 |
Absorption Spectrum of the Firefly Luciferin Anion Isolated in Vacuo
Stochkel K, Milne BF, Nielsen SB |
| 2160 - 2168 |
Dioxaborine- and Indole-Terminated Polymethines: Effects of Bridge Substitution on Absorption Spectra and Third-Order Polarizabilities
Matichak JD, Hales JM, Barlow S, Perry JW, Marder SR |
| 2169 - 2175 |
Nitro-Phenylalanine: A Novel Sensor for Heat Transfer in Peptides
Haiser K, Koller FO, Huber M, Regner N, Schrader TE, Schreier WJ, Zinth W |
| 2176 - 2183 |
Concentration Effects on the Dynamics of Liquid Crystalline Self-Assembly: Time-Resolved X-ray Scattering Studies
Petri M, Menzel A, Bunk O, Busse G, Techert S |
| 2184 - 2195 |
Nonradiative Decay Mechanism of Fluoren-9-ylidene Malononitrile Ambipolar Derivatives
Estrada LA, Cai XC, Neckers DC |
| 2196 - 2207 |
Reactions of C2H with 1-and 2-Butynes: An Ab Initio/RRKM Study of the Reaction Mechanism and Product Branching Ratios
Jamal A, Mebel AM |
| 2208 - 2215 |
Terpyridine- and Bipyridine-Based Ruthenium Complexes as Catalysts for the Belousov-Zhabotinsky Reaction
Delgado J, Zhang Y, Xu B, Epstein IR |
| 2216 - 2224 |
Tunable Solvatochromic Response of Newly Synthesized Antioxidative Naphthalimide Derivatives: Intramolecular Charge Transfer Associated with Hydrogen Bonding Effect
Dhar S, Roy SS, Rana DK, Bhattacharya S, Bhattacharya S, Bhattacharya SC |
| 2225 - 2230 |
Photoionization of Propargyl and Bromopropargyl Radicals: A Threshold Photoelectron Spectroscopic Study
Hemberger P, Lang M, Noller B, Fischer I, Alcaraz C, de Miranda BKC, Garcia GA, Soldi-Lose H |
| 2231 - 2237 |
Theoretical Study of Doubly Resonant IR-UV Hyper-Raman Scattering
Zheng RH, Wei WM, Sun YY, Shi QA |
| 2238 - 2246 |
Matrix Isolation Spectroscopic and Theoretical Study of Water Adsorption and Hydrolysis on Molecular Tantalum and Niobium Oxides
Zhou MF, Zhuang J, Wang GJ, Chen MH |
| 2247 - 2249 |
A Potential Source of Free Radicals in Iodine-Based Chemical Oscillators
Stanisavljev DR, Milenkovic MC, Mojovic MD, Popovic-Bijelic AD |
| 2250 - 2257 |
Sorption of Perfluorochemicals to Granular Activated Carbon in the Presence of Ultrasound
Zhao DM, Cheng J, Vecitis CD, Hoffmann MR |
| 2258 - 2267 |
A Computational Study on the Chemical Fixation of Carbon Dioxide with Epoxide Catalyzed by LiBr Salt
Ren Y, Guo CH, Jia JF, Wu HS |
| 2268 - 2280 |
Encapsulation of Small Base Molecules and Tetrahedral/Cubane-Like Clusters of Group V Atoms in the Boron Buckyball: A Density Functional Theory Study
Muya JT, Lijnen E, Minh TN, Ceulemans A |
| 2281 - 2290 |
Nickel-Catalyzed Alkyl Coupling Reactions: Evaluation of Computational Methods
Pratt LM, Voit S, Okeke FN, Kambe N |
| 2291 - 2296 |
Molybdenum Oxides versus Molybdenum Sulfides: Geometric and Electronic Structures of Mo3Xy- (X = O, S and y=6, 9) Clusters
Mayhall NJ, Becher EL, Chowdhury A, Raghavachari K |
| 2297 - 2307 |
Conformational Stability from Variable Temperature Infrared Spectra of Xenon Solutions, r(0) Structural Parameters, and Ab Initio Calculations of Cyclopropylisocyanate
Durig JR, Zhou SXH, Guirgis GA, Wurrey CJ |
| 2308 - 2315 |
Influence of External Force on Properties and Reactivity of Disulfide Bonds
Iozzi MF, Helgaker T, Uggerud E |
| 2316 - 2324 |
Spin Ground State and Magnetic Properties of Cobalt(II): Relativistic DFT Calculations Guided by EPR Measurements of Bis(2,4-acetylacetonate)cobalt(II)-Based Complexes
Pietrzyk P, Srebro M, Radon M, Sojka Z, Michalak A |
| 2325 - 2331 |
The Fukui Potential and the Capacity of Charge and the Global Hardness of Atoms
Cardenas C, Tiznado W, Ayers PW, Fuentealba P |
| 2332 - 2339 |
An ab Initio Study of van der Waals Potential Energy Parameters for Silver Clusters
Hanninen V, Korpinen M, Ren QH, Hinde R, Halonen L |
| 2340 - 2344 |
Why Benchmark-Quality Computations Are Needed To Reproduce 1-Adamantyl Cation NMR Chemical Shifts Accurately
Harding ME, Gauss J, Schleyer PV |
| 2345 - 2349 |
Ab Initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Th(IV), U(IV), and Np(IV) in Aqueous Solution
Chaboy J, Diaz-Moreno S |
| 2350 - 2358 |
Electron Affinities of Small Uracil-Water Complexes: A Comparison of Benchmark CCSD(T) Calculations with DFT
Dedikova P, Neogrady P, Urban M |
| 2359 - 2366 |
Hydrolysis of a Chlorambucil Analogue. A DFT study
Pineda FP, Ortega-Castro J, Alvarez-Idaboy JR, Frau J, Cabrera BM, Ramirez JC, Donoso J, Munoz F |
| 2367 - 2377 |
Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer: Generation of Charge-Localized Diabatic States
Sirjoosingh A, Hammes-Schiffer S |
| 2378 - 2384 |
Myths and Reality of Hypervalent Molecules. The Electronic Structure of FClOx, x=1-3, Cl3PO, Cl3PCH2, Cl3CClO, and C(ClO)(4)
Kalemos A, Mavridis A |
| 2385 - 2395 |
Calculating the Response of NMR Shielding Tensor sigma(P-31) and (2)J(P-31,C-13) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+ Cation
Benda L, Schneider B, Sychrovsky V |
| 2396 - 2401 |
DFT Study of [2.2]-, [3.3]-, and [4.4]Paracyclophanes: Strain Energy, Conformations, and Rotational Barriers
Bachrach SM |
| 2402 - 2408 |
Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M-3 Triangles (M = Ni, Pd, Pt)
Jin P, Li FY, Chen ZF |
| 2409 - 2422 |
The Role of Multifunctional Kinetics during Early-Stage Silicon Hydride Pyrolysis: Reactivity of Si2H2 Isomers with SiH4 and Si2H6
Adamczyk AJ, Broadbelt LJ |
| 2423 - 2430 |
Can the Gibbs Free Energy of Adsorption Be Predicted Efficiently and Accurately: An M05-2X DFT Study
Michalkova A, Gorb L, Hill F, Leszczynski J |
| 2431 - 2441 |
Computational Study of the Chemistry of 3-Phenylpropyl Radicals
Modglin JD, Dunham JC, Gibson CW, Lin CY, Coote ML, Poole JS |
| 2442 - 2445 |
New Cyanine Dyes or Not? Theoretical Insights for Model Chains
Jacquemin D |
| 2446 - 2446 |
Comment on'New Generalization of Supersymmetric Quantum Mechanics to Arbitrary Dimensionality or Number of Distinguishable Particles' (vol 115, pg 948, 2011)
Mandelshtam VA |
