| 9005 - 9019 |
Dynamics and Novel Mechanisms of S(N)2 Reactions on ab lnitio Analytical Potential Energy Surfaces
Szabo I, Czako G |
| 9020 - 9032 |
Double-Layered Composite Methods Extrapolating to Complete Basis-Set Limit for the Systems Involving More than Ten Heavy Atoms: Application to the Reaction of Heptafluoroisobutyronitrile with Hydroxyl Radical
Yu XJ, Hou H, Wang BS |
| 9033 - 9044 |
Nonmonotonic Temperature Dependence of the Pressure-Dependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory
Zhang H, Zhang X, Truhlar DG, Xu XF |
| 9045 - 9057 |
Luminescence of Molecular Nitrogen Nanoclusters Containing Stabilized Atoms
McColgan PT, Meraki A, Boltnev RE, Lee DM, Khmelenko VV |
| 9058 - 9063 |
TDDFT Study of the Optical Excitation of Nucleic Acid Bases-C-60 Complexes
Tawfik SA, Cui XY, Ringer SP, Starnpfl C |
| 9064 - 9073 |
Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons
Kaminsky J, Chalupsky J, Stepanek P, Kriz J, Bour P |
| 9074 - 9080 |
Observation of Two Conformers of Acrylic Sulfuric Anhydride by Microwave Spectroscopy
Smith CJ, Huff AK, Mackenzie RB, Leopold KR |
| 9081 - 9091 |
Nitrogen: A New Class of pi-Bonding Partner in Hetero pi-Stacking Interaction
Ramanathan N, Sankaran K, Sundararajan K |
| 9092 - 9098 |
Trends in Strong Chemical Bonding in C-2, CN, CN-, CO, N-2, NO, NO+, and O-2
Kepp KP |
| 9099 - 9105 |
Vanadium NMR Chemical Shifts of (Imido)vanadium(V) Dichloride Complexes with Imidazolin-2-iminato and Imidazolidin-2-iminato Ligands: Cooperation with Quantum-Chemical Calculations and Multiple Linear Regression Analyses
Yi J, Yang WH, Sun WH, Nomura K, Hada M |
| 9106 - 9117 |
Four-Component Relativistic Density Functional Calculations of EPR Parameters for Model Complexes of Tungstoenzymes
Gohr S, Hrobarik P, Kaupp M |
| 9118 - 9130 |
CO2 Complexes with Five-Membered Heterocycles: Structure, Topology, and Spectroscopic Characterization
Vidal-Vidal A, Faza ON, Lopez CS |
| 9131 - 9135 |
Notes on The Energy Equivalence of Information
Matta CF, Massa L |
| 9136 - 9145 |
The Hydrogen Abstraction Reaction H2S + OH -> H2O + SH: Convergent Quantum Mechanical Predictions
Tang M, Chen XR, Sun Z, Xie YM, Schaefer HF |
| 9146 - 9155 |
Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, and Raman Spectra
Zhou YQ, Yoshida K, Yamaguchi T, Liu HY, Fang CH, Fang Y |
| 9156 - 9162 |
Heptavalent Actinide Tetroxides NpO4- and PuO4-: Oxidation of Pu(V) to Pu(VII) by Adding an Electron to PuO4
Gibson JK, de Jong WA, Dau PD, Gong Y |
| 9163 - 9171 |
Theoretical Design on a Series of Novel Bicyclic and Cage Nitramines as High Energy Density Compounds
Pan Y, Zhu WH |
