| 5773 - 5790 |
Ultrafast Spectroscopic Signatures of Coherent Electron-Transfer Mechanisms in a Transition Metal Complex
Guo ZK, Giokas PG, Cheshire TP, Williams OF, Dirkes DJ, You W, Moran AM |
| 5791 - 5797 |
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction
Sun XX, Zhang BC, Li XY, Trindle CO, Zhang GQ |
| 5798 - 5804 |
Photoinduced Charge Separation in the Carbon Nano-Onion C-60@C-240
Voityuk AA, Sola M |
| 5805 - 5815 |
Magnetic Circular Dichroism Spectroscopy of meso-Tetraphenylporphyrin-Derived Hydroporphyrins and Pyrrole-Modified Porphyrins
Rhoda HM, Akhigbe J, Ogikubo J, Sabin JR, Ziegler CJ, Bruckner C, Nemykin VN |
| 5816 - 5825 |
Electronic Absorption Spectra of Tetrapyrrole-Based Pigments via TD-DFT: A Reduced Orbital Space Study
Shrestha K, Virgil KA, Jakubikova E |
| 5826 - 5837 |
Photophysics of Diphenylbutadiynes in Water, Acetonitrile-Water, and Acetonitrile Solvent Systems: Application to Single Component White Light Emission
Pati AK, Jana R, Gharpure SJ, Mishra AK |
| 5838 - 5847 |
White Light Emission in Butadiyne Bridged Pyrene-Phenyl Hybrid Fluorophore: Understanding the Photophysical Importance of Diyne Spacer and Utilizing the Excited-State Photophysics for Vapor Detection
Pati AK, Gharpure SJ, Mishra AK |
| 5848 - 5855 |
Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering
Guo MY, Kallman E, Sorensen LK, Delcey MG, Pinjari RV, Lundberg M |
| 5856 - 5867 |
Low-Lying Electronic States of CuAu
Sanati DA, Andrae D |
| 5868 - 5873 |
IR and UV-NIR Absorption Spectroscopy of Matrix-Isolated C-70(+) and C-70(-)
Kern B, Bottcher A, Strelnikov D |
| 5874 - 5886 |
Computational Vibrational Spectroscopy of HDO in Osmolyte-Water Solutions
Lee H, Choi JH, Verma PK, Cho M |
| 5887 - 5896 |
Importance of Unimolecular HO2 Elimination in the Heterogeneous OH Reaction of Highly Oxygenated Tartaric Acid Aerosol
Cheng CT, Chan MN, Wilson KR |
| 5897 - 5916 |
Taming the Electronic Structure of Diradicals through the Window of Computationally Cost Effective Multireference Perturbation Theory
Ray SS, Ghosh A, Chattopadhyay S, Chaudhuri RK |
| 5917 - 5927 |
The Effect of Donor Group Rigidification on the Electronic and Optical Properties of Arylamine-Based Metal-Free Dyes for Dye-Sensitized Solar Cells: A Computational Study
Estrella LL, Balanay MP, Kim DH |
| 5928 - 5938 |
Density Functional Exploration of C4H3N Isomers
Custer T, Szczepaniak U, Gronowski M, Fabisiewicz E, Couturier-Tamburelli I, Kolos R |
| 5939 - 5949 |
Adapting DFT plus U for the Chemically Motivated Correction of Minimal Basis Set Incompleteness
Kulik HJ, Seelam N, Mar BD, Martinez TJ |
| 5950 - 5957 |
Quantum Chemical Study of the Low-Lying Electronic States of VSi3-/0 Clusters and Interpretation of the Anion Photoelectron Spectrum
Tran VT, Tran QT |
