| 3545 - 3555 |
Comparing the Energetic and Dynamic Contributions of Solvent to Very Low Barrier Isomerization Using Dynamic Steady-State Vibrational Spectroscopy
Giordano AN, Lear BJ |
| 3556 - 3562 |
Absolute Reactivity of (N-Methyl-3-pyridinium)chlorocarbene
Cang H, Moss RA, Krogh-Jespersen K |
| 3563 - 3568 |
Reversible Photochemical Isomerization of N,N'-Di(t-butoxycarbonyl)indigos
Farka D, Scharber M, Glowacki ED, Sariciftci NS |
| 3569 - 3576 |
Excited-State Ring-Opening Mechanism of Cyclic Ketones: A MS-CASPT2//CASSCF Study
Xia SH, Liu XY, Fang Q, Cui GL |
| 3577 - 3586 |
Infrared Photodissociation Spectroscopy of Mass-Selected Silver and Gold Nitrosyl Cation Complexes
Li YZ, Wang LC, Qu H, Wang GJ, Zhou MF |
| 3587 - 3593 |
Combined Fragment Molecular Orbital Cluster in Molecule Approach to Massively Parallel Electron Correlation Calculations for Large Systems.
Findlater AD, Zahariev F, Gordon MS |
| 3594 - 3603 |
H-2 Saturation on Palladium Clusters
Pelzer AW, Jellinek J, Jackson KA |
| 3604 - 3614 |
Ethanol Dehydration in HZSM-5 Studied by Density Functional Theory: Evidence for a Concerted Process
Kim S, Robichaud DJ, Beckham GT, Paton RS, Nimlos MR |
| 3615 - 3620 |
Computational Study on Thermochemical Properties for Perhalogenated Methanols (CX3OH) (X = F, CI, Br)
Alrawashdeh AI, Poirier RA |
| 3621 - 3627 |
Migrations of Pentagon-Heptagon Defects in Hexagonal Boron Nitride Monolayer: The First-Principles Study
Wang J, Li SN, Liu JB |
| 3628 - 3635 |
Gas-Phase Reactions of Molecular Oxygen with Uranyl(V) Anionic Complexes-Synthesis and Characterization of New Superoxides of Uranyl(VI)
Lucena AF, Carretas JM, Marcalo J, Michelini MC, Gong Y, Gibson JK |
| 3636 - 3643 |
Investigation of Properties of Mg-n Clusters and Their Hydrogen Storage Mechanism: A Study Based on DFT and a Global Minimum Optimization Method
Shen D, Kong CP, Jia R, Fu P, Zhang HX |
| 3644 - 3652 |
Theoretical Study on the Microhydration of Atmospherically Important Carbonyl Sulfide in Its Neutral and Anionic Forms: Bridging the Gap between the Bulk and Finite Size Microhydrated Cluster
Mondal S, Teja AU, Singh PC |
| 3653 - 3662 |
Electronic Circular Dichroism of Highly Conjugated pi-Systems: Breakdown of the Tamm-Dancoff/Configuration Interaction Singles Approximation
Bannwarth C, Grimme S |
| 3663 - 3673 |
Analysis of the Hypersensitivity of the Si-29 NMR Chemical Shift of the Pentacoordinate Silicon Compounds to the Temperature Effect. N-(Silylmethyl)acetamides
Doronina EP, Sidorkin VF, Lazareva NF |
| 3674 - 3687 |
Intramolecular O-H center dot center dot center dot O=C Hydrogen Bond Energy via the Molecular Tailoring Approach to RAHB Structures
Rusinska-Roszak D |
