| 3313 - 3324 |
Analysis of Some Reaction Pathways Active during Cyclopentadiene Pyrolysis
Cavallotti C, Polino D, Frassoldati A, Ranzi E |
| 3325 - 3346 |
Role of O-2 + QOOH in Low-Temperature Ignition of Propane. 1. Temperature and Pressure Dependent Rate Coefficients
Goldsmith CF, Green WH, Klippenstein SJ |
| 3347 - 3358 |
Hydrogen-Bond Strengthening upon Photoinduced Electron Transfer in Ruthenium-Anthraquinone Dyads Interacting with Hexafluoroisopropanol or Water
Hankache J, Hanss D, Wenger OS |
| 3359 - 3365 |
Restricted Photochemistry in the Molecular Solid State: Structural Changes on Photoexcitation of Cu(I) Phenanthroline Metal-to-Ligand Charge Transfer (MLCT) Complexes by Time-Resolved Diffraction
Makal A, Benedict J, Trzop E, Sokolow J, Fournier B, Chen Y, Kalinowski JA, Graber T, Henning R, Coppens P |
| 3366 - 3376 |
Theoretical Characterization of Absorption and Emission Spectra of an Asymmetric Porphycene
Lan ZG, Nonell S, Barbatti M |
| 3377 - 3387 |
Radiation Products at 77 K in Trehalose Single Crystals: EMR and DFT Analysis
Tarpan MA, De Cooman H, Hole EO, Waroquier M, Callens F |
| 3388 - 3395 |
Matrix Isolation Spectroscopic and Theoretical Study of Carbon Dioxide Activation by Titanium Oxide Molecules
Zhuang J, Li ZH, Fan KNA, Zhou MF |
| 3396 - 3403 |
Generation, Spectroscopy, and Structure of Cyanoformyl Chloride and Cyanoformyl Bromide, XC(O)CN
Pasinszki T, Vass G, Klapstein D, Westwood NPC |
| 3404 - 3412 |
Electro-Fenton and Photoelectro-Fenton Degradation of Sulfanilic Acid Using a Boron-Doped Diamond Anode and an Air Diffusion Cathode
El-Ghenymy A, Garrido JA, Centellas F, Arias C, Cabot PL, Rodriguez RM, Brillas E |
| 3413 - 3419 |
Modifying the Fullerene Surface Using Endohedral Noble Gas Atoms: Density Functional Theory Based Molecular Dynamics Study of C70O3
Bil A, Morrison CA |
| 3420 - 3427 |
Experimental and Theoretical Charge Density Studies of 8-Hydroxyquinoline Cocrystallized with Salicylic Acid
Nguyen TH, Groundwater PW, Platts JA, Hibbs DE |
| 3428 - 3435 |
Tautomeric and Conformational Properties of Benzoylacetone, CH3-C(O)-CH2-C(O)-C6H5: Gas-Phase Electron Diffraction and Quantum Chemical Study
Belova NV, Girichev GV, Oberhammer H, Hoang TN, Shlykov SA |
| 3436 - 3447 |
Accurate Thermochemistry of Hydrocarbon Radicals via an Extended Generalized Bond Separation Reaction Scheme
Wodrich MD, Corminboeuf C, Wheeler SE |
| 3448 - 3453 |
Fulvenallenyl Cation (C7H5+) and Its Complex with an Argon Atom: Results of High-Level Quantum-Chemical Calculations
Botschwina P, Oswald R |
| 3454 - 3464 |
On the Equivalence of Conformational and Enantiomeric Changes of Atomic Configuration for Vibrational Circular Dichroism Signs
Heshmat M, Nicu VP, Baerends EJ |
| 3465 - 3473 |
Calculation of Magnetic Couplings in Hydrogen-Bonded Cu(II) Complexes Using Density Functional Theory
Bandeira NAG, Le Guennic B |
| 3474 - 3480 |
Structure and Bonding in Coinage Metal Halide Clusters MnXn, M = Cu, Ag, Au; X = Br, I; n=1-6
Rabilloud F |
| 3481 - 3486 |
Analytic Calculation of Isotropic Hyperfine Structure Constants Using the Normalized Elimination of the Small Component Formalism
Filatov M, Zou WL, Cremer D |
| 3487 - 3497 |
Substituent Effects on Cl center dot center dot center dot N, S center dot center dot center dot N, and P center dot center dot center dot N Noncovalent Bonds
Adhikari U, Scheiner S |
| 3498 - 3506 |
Antioxidant Properties of beta-Carotene Isomers and Their Role in Photosystems: Insights from Ab Initio Simulations
Cerezo J, Zuniga J, Bastida A, Requena A, Ceron-Carrasco JP, Eriksson LA |
