| 9945 - 9951 |
Infrared Spectroscopy and Quantum Chemical Calculations of OH-(H2O)n Complexes
Tsuji K, Shibuya K |
| 9952 - 9957 |
UV and VUV Ionization of Organic Molecules, Clusters, and Complexes
Marksteiner M, Haslinger P, Sclafani M, Ulbricht H, Arndt M |
| 9958 - 9964 |
Ab Initio Classical Trajectory Study of the Dissociation of Neutral and Positively Charged Methanimine (CH2NHn+ n=0-2)
Zhou J, Schlegel HB |
| 9965 - 9973 |
Influence of an Intermolecular Charge-Transfer State on Excited-State Relaxation Dynamics: Solvent Effect on the Methylnaphthalene-Oxygen System and its Significance for Singlet Oxygen Production
Jensen PG, Arnbjerg J, Tolbod LP, Toftegaard R, Ogilby PR |
| 9974 - 9980 |
High-Temperature Shock Tube Measurements of Dimethyl Ether Decomposition and the Reaction of Dimethyl Ether with OH
Cook RD, Davidson DF, Hanson RK |
| 9981 - 9987 |
Theoretical Study on Reactions of HO2 Radical with Photodissociation Products of Cl2SO (ClSO and SO)
Szori M, Csizmadia IG, Fittschen C, Viskolcz B |
| 9988 - 9996 |
Simultaneous Evaluation of Different Types of Kinetic Traces of a Complex System: Kinetics and Mechanism of the Tetrathionate-Bromine Reaction
Varga D, Horvath AK |
| 9997 - 10004 |
Phenothiazine-Anthraquinone Donor-Acceptor Molecules: Synthesis, Electronic Properties and DFT-TDDFT Computational Study
Zhang WW, Mao WL, Hu YX, Tian ZQ, Wang ZL, Meng QJ |
| 10005 - 10012 |
5-Exo-Cyclizations of Pentenyliminyl Radicals: Inversion of the gem-Dimethyl Effect
Portela-Cubillo F, Alonso-Ruiz R, Sampedro D, Walton JC |
| 10013 - 10023 |
Characterization of the Unimolecular Water Elimination Reaction from 1-Propanol, 3,3,3-Propan-1-ol-d(3), 3,3,3-Trifluoropropan-1-ol, and 3-Chloropropan-1-ol
Ferguson HA, Parworth CL, Holloway TB, Midgett AG, Heard GL, Setser DW, Holmes BE |
| 10024 - 10032 |
Visible Light-Driven Photocatalytic Degradation of Rhodamine B over NaBiO3: Pathways and Mechanism
Yu K, Yang SG, He H, Sun C, Gu CG, Ju YM |
| 10033 - 10039 |
Accurate Computed Enthalpies of Spin Crossover in Iron and Cobalt Complexes
Jensen KP, Cirera J |
| 10040 - 10049 |
Systematic Fragmentation Method and the Effective Fragment Potential: An Efficient Method for Capturing Molecular Energies
Mullin JM, Roskop LB, Pruitt SR, Collins MA, Gordon MS |
| 10050 - 10057 |
Polar Coordinate Representation of H-b(r(c)) versus ((h)over-bar(2)/8m)del(2)rho(b)(r(c)) at BCP in AIM Analysis: Classification and Evaluation of Weak to Strong Interactions
Nakanishi W, Hayashi S, Narahara K |
| 10058 - 10067 |
On the Interpretation of the Source Function
Farrugia LJ, Macchi P |
| 10068 - 10074 |
Net Electrophilicity
Chattaraj PK, Chakraborty A, Giri S |
| 10075 - 10080 |
Structural Effect on the Stability of Acetophenone-B(OMe)(2) Complexes in the Gas Phase. The Nature of the Bond between the Boron Cation and Neutral Molecules
Itoh S, Badal MMR, Mishima M |
| 10081 - 10088 |
Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Zn Complexes
Weaver MN, Yang Y, Merz KM |
| 10089 - 10095 |
Theoretical Studies of the Low-Lying States of GeSi+
Chakrabarti S, Das KK |
| 10096 - 10103 |
Accurate Benchmark Calculations on the Gas-Phase Basicities of Small Molecules
He X, Fusti-Molnar L, Merz KM |
| 10104 - 10112 |
Prediction of the Intrinsic Hydrogen Bond Acceptor Strength of Chemical Substances from Molecular Structure
Schwobel J, Ebert RU, Kuhne R, Schuurmann G |
| 10113 - 10118 |
CH/pi Interaction in Benzene and Substituted Derivatives with Halomethane: A Combined Density Functional and Dispersion-Corrected Density Functional Study
Dey RC, Seal P, Chakrabarti S |
| 10119 - 10124 |
Substituent Effect on the Meso-Substituted Porphyrins: Theoretical Screening of Sensitizer Candidates for Dye-Sensitized Solar Cells
Ma RM, Guo P, Cui HJ, Zhang XX, Nazeeruddin MK, Gratzel M |
| 10125 - 10132 |
Concentration-Dependent Br center dot center dot center dot O Halogen Bonding between Carbon Tetrabromide and Oxygen-Containing Organic Solvents
Zou WS, Han J, Jin WJ |
| 10133 - 10141 |
Metal-Ligand Bonds of Second- and Third-Row d-Block Metals Characterized by Density Functional Theory
Jensen KP |
| 10142 - 10142 |
Two Reactivity Modes in the Heterogeneous Cyclohexene Ozonolysis under Tropospherically Relevant Ozone-Rich and Ozone-Limited Conditions (vol 113A, pg 8985, 2009)
Stokes GY, Chen EH, Walter SR, Geiger FM |
