| 9509 - 9518 |
Dissociation Dynamics and Electronic Structures of Highly Excited Ferrocenium Ions Studied by Femtosecond XUV Absorption Spectroscopy
Chatterley AS, Lackner F, Pemmaraju CD, Neumark DM, Leone SR, Gessner O |
| 9519 - 9528 |
A Benefit of Using the IDSCRF- over UFF-Radii Cavities and Why Joint Correlations of NMR Chemical Shifts Can Be Advantageous: Condensed Pyridines as an IEF-PCM/GIAO/DFT Case Study
Nazarski RB, Justyna K, Lesniak S, Chrostowska A |
| 9529 - 9544 |
Theoretical Study on the Photoelectron Spectra of Ln(COT)(2)(-): Lanthanide Dependence of the Metal-Ligand Interaction
Nakajo E, Masuda T, Yabushita S |
| 9545 - 9556 |
Heterogeneous Reactions of Limonene on Mineral Dust: Impacts of Adsorbed Water and Nitric Acid
Lederer MR, Staniec AR, Fuentes ZLC, Van Ry DA, Hinrichs RZ |
| 9557 - 9563 |
Atmospheric Chemistry of 1H-Heptafluorocyclopentene (cyc-CF2CF2CF2CF=CH-): Rate Constant, Products, and Mechanism of Gas-Phase Reactions with OH Radicals, IR Absorption Spectrum, Photochemical Ozone Creation Potential, and Global Warming Potential
Liu DP, Qin S, Li W, Zhang D, Guo Z |
| 9564 - 9578 |
Can a Topological Approach Predict Spin-Symmetry Breaking in Conjugated Hydrocarbons?
Malrieu JP, Trinquier G |
| 9579 - 9587 |
Nearsightedness of Oxygen-Containing Functional Groups
Miorelli J, Eberhart ME |
| 9588 - 9597 |
Spin Inversion Phenomenon and Two-State Reactivity Mechanism for Direct Benzene Hydroxylation by V4O10 Cluster
Kaur N, Kumari I, Gupta S, Goel N |
| 9598 - 9606 |
Origin of Acid-Base Catalytic Effects on Formaldehyde Hydration
Uddin N, Choi TH, Choi CH |
| 9607 - 9611 |
Fundamental Aspects of Recoupled Pair Bonds. III. The Frustrated Recoupled Pair Bond in Oxygen Monofluoride
Takeshita TY, Dunning TH |
| 9612 - 9617 |
Theoretical Study of Cu/Mg Core-shell Nanocluster Formation
Buszek RJ, Ridge CJ, Emery SB, Lindsay CM, Boatz JA |
| 9618 - 9624 |
Hemibonding between Water Cation and Water
Chipman DM |
| 9625 - 9635 |
Time Dependent Density Functional Theory Study of Magnetic Circular Dichroism Spectra of Gold Clusters Au-9(PH3)(8)(3+) and Au-9(PPh3)(8)(3+)
Karimova NV, Aikens CM |
| 9636 - 9646 |
DFT Study on the Interaction of Tris(benzene-1,2-dithiolato)molybdenum Complex with Water. A Hydrolysis Mechanism Involving a Feasible Seven-Coordinate Aquomolybdenum Intermediate
Fernandez L, Perez-Pla FF, Tunon I, Llopis E |
| 9647 - 9659 |
Exponential Relationships Capturing Atomistic Short-Range Repulsion from the Interacting Quantum Atoms (IQA) Method
Wilson AL, Popelier PLA |
| 9660 - 9666 |
Theoretical ab Initio Study of the Series of N2X+ Cations with X = F, Cl, Br, and I. New Insights on the "Unusual" N2F+ Species
Papakondylis A |
| 9667 - 9677 |
Generalized Energy-Based Fragmentation Approach for Localized Excited States of Large Systems
Li W, Li YZ, Lin RC, Li SH |
