| 9431 - 9449 |
Low-Temperature Spectra and Density Functional Theory Modeling of Ru(II)-Bipyridine Complexes with Cyclometalated Ancillary Ligands: The Excited State Spin-Orbit Coupling Origin of Variations in Emission Efficiencies
Zhang XZ, Cheng CC, Chih YR, Lin YT, Chen HY, Chen YJ, Endicott JF |
| 9450 - 9455 |
Theoretical Explanation of Reaction Site Selectivity in the Addition of a Phenoxy Group to Perfluoropyridine
Fuhrer TJ, Houck M, Corley CA, Iacono ST |
| 9456 - 9461 |
In Situ Detoxification of Venomous Agent X Surrogate Profenofos by Doped Titanium Dioxide Nanoparticles under Illumination at the UV and Visible Ranges
Dayan A, Yosef RM, Risphon J, Tuval E, Fleminger G |
| 9462 - 9468 |
Kinetic Study of the Temperature Dependence of OH-Initiated Oxidation of n-Dodecane
Lamkaddam H, Gratien A, Ropion M, Pangui E, Doussin JF |
| 9469 - 9478 |
Experimental Study of the Removal of Ground- and Excited-State Phosphorus Atoms by Atmospherically Relevant Species
Douglas KM, Blitz MA, Mangan TP, Plane JMC |
| 9479 - 9497 |
Probing the Reaction Mechanisms Involved in the Decomposition of Solid 1,3,5-Trinitro-1,3,5-triazinane by Energetic Electrons
Singh SK, Zhu C, Vuppuluri V, Son SF, Kaiser RI |
| 9498 - 9504 |
Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pK(a) Values of Thiols
Mirzaei S, Ivanov MV, Timerghazin QK |
| 9505 - 9513 |
Atomic Gold Ions Clustered with Noble Gases: Helium, Neon, Argon, Krypton, and Xenon
Martini P, Kranabetter L, Goulart M, Rasul B, Gatchell M, Scheier P, Echt O |
| 9514 - 9519 |
Dispersion Effects in Stabilizing Organometallic Compounds: Tetra-1-norbornyl Derivatives of the First-Row Transition Metals as Exceptional Examples
Li HD, Hu YC, Wan D, Zhang Z, Fan QC, King RB, Schaefer HF |
| 9520 - 9530 |
Structure and Mechanism for Alkane Oxidation and Alkene Epoxidation with Hydroperoxides, alpha-Hydroxy Hydroperoxides, and Peroxyacids: A Theoretical Study
Bach RD |
| 9531 - 9543 |
Structures and Energetics of Neutral and Cationic Pyrene Clusters
Dontot L, Spiegelman F, Rapacioli M |
| 9544 - 9551 |
Calculation of Transition State Energies in the HCN-HNC Isomerization with an Algebraic Model
Khalouf-Rivera J, Carvajal M, Santos LF, Perez-Bernal F |
| 9552 - 9559 |
Zinc 1s Valence-to-Core X-ray Emission Spectroscopy of Halozincate Complexes
Clarke CJ, Hayama S, Hawes A, Hallett JP, Chamberlain TW, Lovelock KRJ, Besley NA |
| 9560 - 9566 |
On the Inhibition of Hydroxyl Radical Formation by Hydroxycinnamic Acids: The Case of Caffeic Acid as a Promising Chelating Ligand of a Ferrous Ion
Mazzone G |
| 9567 - 9572 |
Bidentate SO2 Complexes of Zirconium and Hafnium Difluorides with Highly Activated S-O Bonds
Wei R, Chen XT, Gong Y |
| 9573 - 9578 |
The Gas-Phase Infrared Spectra of Xylyl Radicals
Hirsch F, Flock M, Fischer I, Bakels S, Rijs AM |
| 9579 - 9586 |
Revisiting Formic Acid Decomposition by a Graph-Theoretical Approach
Ida T, Nishida M, Hori Y |
| 9587 - 9593 |
Magnetars and Magnetic Separation of Chiral Radicals in Interstellar Space: Homochirality
Stevenson CD, Davis JP |
| 9594 - 9599 |
Strong Even/Odd Pattern in the Computed Gas-Phase Stability of Dicarboxylic Acid Dimers: Implications for Condensation Thermodynamics
Elm J, Hyttinen N, Lin JJ, Kurten T, Prisle NL |
| 9600 - 9611 |
Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search
Denzel A, Haasdonk B, Kastner J |
| 9612 - 9620 |
Combined High-Resolution Optical Tweezers and Multicolor Single-Molecule Fluorescence with an Automated Single-Molecule Assembly Line
Chuang CY, Zammit M, Whitmore ML, Comstock MJ |
| 9621 - 9633 |
Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2-center dot and Pyridine and Imidazole
Loipersberger M, Lee J, Mao YZ, Das AK, Ikeda K, Thirman J, Head-Gordon T, Head-Gordon M |
| 9634 - 9634 |
A Systematic Theoretical Study on the Acidities for Cations of Ionic Liquids in Dimethyl Sulfoxide (vol 122, pg 5750, 2018)
Wang Z, Zheng YJ, Zheng Y, Xue XS, Ji PJ |
| 9635 - 9635 |
Systematic First -Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2H2n (n = 1-3) (vol 123, pg 8619, 2019)
Bhattacharyya P, Rai DK, Shukla A |
