| 6041 - 6043 |
Excitation Energies of Zinc Porphyrin in Aqueous Solution Using Long-Range Corrected Time-Dependent Density Functional Theory
Govind N, Valiev M, Jensen L, Kowalski K |
| 6044 - 6048 |
Spectroscopic Study of the Benchmark Mn+-H-2 Complex
Dryza V, Poad BLJ, Bieske EJ |
| 6049 - 6057 |
Propagating Fronts in Thin Tubes: Concentration, Electric, and pH Effects in a Two-Dimensional Precipitation Pulse System
Makki R, Al-Ghoul M, Sultan R |
| 6058 - 6063 |
Observation of the Interference between the Intramolecular IR-Visible and Visible-IR Processes in the Doubly Resonant Sum Frequency Generation Vibrational Spectroscopy of Rhodamine 6G Adsorbed at the Air/Water Interface
Wu D, Deng GH, Guo Y, Wang HF |
| 6064 - 6069 |
Experimental and Theoretical Investigation of Simple Terminal Group 6 Arsenide As MF3 Molecules
Wang XF, Andrews L, Knitter M, Malmqvist PA, Roos BO |
| 6070 - 6076 |
Differentiating Subtle Variation of Weak Intramolecular Hydrogen Bond in Vicinal Diols by Linear Infrared Spectroscopy
Ma XY, Wang JP |
| 6077 - 6082 |
Microwave Spectra and Barrier to Internal Rotation in Cyclopropylmethylsilane
Foellmer MD, Murray JM, Serafin MM, Steber AL, Peebles RA, Peebles SA, Eichenberger JL, Guirgis GA, Wurrey CJ, Durig JR |
| 6083 - 6090 |
Infrared Spectrum and Anharmonic Force Field of CH2DBr
Baldacci A, Stoppa P, Baldan A, Giorgianni S, Gambi A |
| 6091 - 6103 |
Reductive Reaction Mechanisms of the Azo Dye Orange II in Aqueous Solution and in Cellulose: From Radical Intermediates to Products
Abbott LC, Batchelor SN, Smith JRL, Moore JN |
| 6104 - 6110 |
Hydrogen Bond Fluctuations of the Hydration Shell of the Bromide Anion
Timmer RLA, Bakker HJ |
| 6111 - 6120 |
Thermal Decomposition of the Benzyl Radical to Fulvenallene (C7H6) + H
da Silva G, Cole JA, Bozzelli JW |
| 6121 - 6132 |
Thermochemistry for the Dehydrogenation of Methyl-Substituted Ammonia Borane Compounds
Grant DJ, Matus MH, Anderson KD, Camaioni DM, Neufeldt SR, Lane CF, Dixon DA |
| 6133 - 6141 |
Theoretical Study on the Structural Properties and Relative Stability of M(II)-Al Layered Double Hydroxides Based on a Cluster Model
Yan H, Wei M, Ma J, Li F, Evans DG, Duan X |
| 6142 - 6148 |
Algebraic-Matrix Calculation of Vibrational Levels of Triatomic Molecules
Sedivcova-Uhlikova T, Abdullah HY, Manini N |
| 6149 - 6157 |
Theoretical Description of the Structure and Magnetic Properties of Nitroxide-Cu(II)-Nitroxide Spin Triads by Means of Multiconfigurational Ab Initio Calculations
Vancoillie S, Rulisek L, Neese F, Pierloot K |
| 6158 - 6165 |
Grignard Reagents in Solution: Theoretical Study of the Equilibria and the Reaction with a Carbonyl Compound in Diethyl Ether Solvent
Mori T, Kato S |
| 6166 - 6171 |
An Investigation of KS-DFT Electron Densities used in Atoms-in-Molecules Studies of Energetic Molecules
Yau AD, Byrd EFC, Rice BM |
| 6172 - 6181 |
Microsolvation of Cysteine: A Density Functional Theory Study
Bachrach SM, Nguyen TT, Demoin DW |
| 6182 - 6191 |
Theoretical Investigation of the Interaction between Fluorinated Dimethyl Ethers (n(F)=1-5) and Water: Role of the Acidity and Basicity on the Competition between OH center dot center dot O and CH center dot center dot center dot O Hydrogen Bonds
Parveen S, Chandra AK, Zeegers-Huyskens T |
| 6192 - 6196 |
Preference for Na+-pi Binding over Na+-Dipole Binding in Na+-Arene Interactions
Watt M, Hwang J, Cormier KW, Lewis M |
| 6197 - 6205 |
Inter- or Intramolecular N center dot center dot center dot H-O or N-H center dot center dot center dot O Hydrogen Bonding in 1,3-Amino-alpha/beta-naphthols: An Experimental NMR and Computational Study
Lammermann A, Szatmari I, Fulop F, Kleinpeter E |
| 6206 - 6212 |
IEF-PCM Calculations of Absolute pK(a) for Substituted Phenols in Dimethyl Sulfoxide and Acetonitrile Solutions
Trummal A, Rummel A, Lippmaa E, Burk P, Koppel IA |
