| 11921 - 11943 |
Spectral Signatures of Inter-System Crossing Mediated by Energetically Distant Doorway Levels: Examples from the Acetylene S-1 State
Bittinger KL, Virgo WL, Field RW |
| 11944 - 11951 |
Modeling of Multi-Exciton Transient Absorption Spectra of Protochlorophyllide Aggregates in Aqueous Solution
Sytina OA, Novoderezhkin VI, van Grondelle R, Groot ML |
| 11952 - 11959 |
Ultrafast Energy Migration Pathways in Self-Assembled Phospholipids Interacting with Confined Water
Levinger NE, Costard R, Nibbering ETJ, Elsaesser T |
| 11960 - 11970 |
Competition between Amide Stacking and Intramolecular H Bonds in gamma-Peptide Derivatives: Controlling Nearest-Neighbor Preferences
James WH, Buchanan EG, Guo L, Geman SH, Zwier TS |
| 11971 - 11978 |
Acid and Alkali Effects on the Decomposition of HMX Molecule: A Computational Study
Zhang CY, Li YZ, Xiong Y, Wang XL, Zhou MF |
| 11979 - 11987 |
A Kinetic Study of Ozone Decomposition on Illuminated Oxide Surfaces
Chen HH, Stanier CO, Young MA, Grassian VH |
| 11988 - 11997 |
Theoretical Study on the Electronic Excitations of a Porphyrin-Polypyridyl Ruthenium(II) Photosensitizer
Cardenas-Jiron GI, Barboza CA, Lopez R, Menendez MI |
| 11998 - 12003 |
Scaling of Excitons in Graphene Nanoribbons with Armchair Shaped Edges
Zhu X, Su HB |
| 12004 - 12010 |
Structural and Mechanistic Analysis through Electronic Spectra: Aqueous Hyponitrite Radical (N2O2-) and Nitrosyl Hyponitrite Anion (N3O3-)
Valiev M, Lymar SV |
| 12011 - 12016 |
Populations of Carbonic Acid Isomers at 210 K from a Fast Two-Electron Reduced-Density Matrix Theory
Schwerdtfeger CA, Mazziotti DA |
| 12017 - 12024 |
Force Field Parametrization and Molecular Dynamics Simulation of Flexible POSS-Linked (NHC; Phosphine) Ru Catalytic Complexes
Ahmadi A, McBride C, Freire JJ, Kajetanowicz A, Czaban J, Grela K |
| 12025 - 12033 |
Racemization Mechanisms and Electronic Circular Dichroism of [4]Heterohelicenium Dyes: A Theoretical Study
Elm J, Lykkebo J, Sorensen TJ, Laursen BW, Mikkelsen KV |
| 12034 - 12046 |
Benchmark Structures and Binding Energies of Small Water Clusters with Anharmonicity Corrections
Temelso B, Archer KA, Shields GC |
| 12047 - 12052 |
Hybrid Quantum Mechanical/Molecular Mechanics Study of the S(N)2 Reaction of CH3Cl+OH- in Water
Yin HY, Wang DY, Valiev M |
| 12053 - 12053 |
Solvent Tuning of a Conical Intersection: Direct Experimental Verification of a Theoretical Prediction (vol 115, pg 10854, 2011)
Kahan A, Wand A, Ruhman S, Zilberg S, Haas Y |
