| 6157 - 6165 |
Calculations of Differential Cross Sections Using Mixed Quantum/Classical Theory of Inelastic Scattering
Mandal B, Semenov A, Babikov D |
| 6166 - 6175 |
Excited-State Proton Transfer from the Photoacid 2-Naphthol-8-sulfonate to Acetonitrile/Water Mixtures
Gajst O, da Silva LP, da Silva JCGE, Huppert D |
| 6176 - 6182 |
Electronic Structure and Rydberg-Core Interactions in Hydroxycarbene and Methylhydroxycarbene
Samanta BR, Sutradhar S, Fernando R, Krylov AI, Reisler H |
| 6183 - 6195 |
Measurements and Simulations of the Acidity Dependence of the Kinetics of the Iron-Catalyzed Belousov-Zhabotinsky Reaction: Proton-Catalysis in the Electron Transfer Reaction Involving the [Fe(phen)(3)](3+) Species
Zars E, Glaser R, Downing M, Chicone C |
| 6196 - 6205 |
Boron Teetotum: Metallic [Ti(B6CxNy)](q) and Bimetallic [Ti-2(B6CxNy)](q) Nine-Membered Heterocycles with x plus y=3 and-1 <= q <= 3
Pham-Ho MP, Pharn HT, Nguyen MT |
| 6206 - 6213 |
Spectral Filtering as a Tool for Two-Dimensional Spectroscopy: A Theoretical Model
Green D, Camargo FVA, Heisler IA, Dijkstra AG, Jones GA |
| 6214 - 6224 |
Probing Axial Water Bound to Copper in Tutton Salt Using Single Crystal O-17-ESEEM Spectroscopy
Colaneri MJ, Vitali J |
| 6225 - 6235 |
Unveiling Noncovalent Interactions in Imidazolium, Pyrrolidinium, or Quaternary Ammonium Cation and Acetate Anion Based Protic Ionic Liquids: Structure and Spectral Characteristics
Verma PL, Gejji SP |
| 6236 - 6242 |
New High Pressure Phases of Energetic Material TEX: Evidence from Raman Spectroscopy, X-ray Diffraction, and First-Principles Calculations
Rajan R, Ravindran TR, Venkatesan V, Srihari V, Pandey KK, Chandra S, Mishra KK, Vargeese AA |
| 6243 - 6255 |
Quantitatively Adequate Calculations of the H-Chelate Ring Distortion upon the S-0 -> S-1(pi pi*) Excitation in Internally H-Bonded o-Anthranilic Acid: CC2 Coupled-Cluster versus TDDFT
Kolek P, Andrzejak M, Hakalla R, Szajna W |
| 6256 - 6265 |
Syntheses, Spectroscopic Properties, and Computational Study of (E,Z)-Ethenyl and Ethynyl-Linked BODIPYs
Zhang GY, Zhao N, Bobadova-Parvanova P, Wang MD, Fronczek FR, Smith KM, Vicente MGH |
| 6266 - 6276 |
Organic Acid Formation from the Atmospheric Oxidation of Gem Diols: Reaction Mechanism, Energetics, and Rates
Parandaman A, Kumar M, Francisco JS, Sinha A |
| 6277 - 6291 |
Computational Kinetics of Hydroperoxybutylperoxy Isomerizations and Decompositions: A Study of the Effect of Hydrogen Bonding
Mohamed SY, Davis AC, Al Rashidi MJ, Sarathy SM |
| 6292 - 6302 |
Kinetics and Product Yields of the OH Initiated Oxidation of Hydroxymethyl Hydroperoxide
Allen HM, Crounse JD, Bates KH, Teng AP, Krawiec-Thayer MP, Rivera-Rios JC, Keutsch FN, St Clair JM, Hanisco TF, Moller KH, Kjaergaard HG, Wennberg PO |
| 6303 - 6310 |
Reactions of Criegee Intermediates with Benzoic Acid at the Gas/Liquid Interface
Qiu JT, Ishizuka S, Tonokura K, Enami S |
| 6311 - 6320 |
Role of NH3 in the Heterogeneous Formation of Secondary Inorganic Aerosols on Mineral Oxides
Yang WW, Ma QX, Liu YC, Ma JZ, Chu BW, Wang L, He H |
| 6321 - 6327 |
AC Stark Effect Observed in a Microwave-Millimeter/Submillimeter Wave Double-Resonance Experiment
Roenitz KM, Hays BM, Powers CR, McCabe MN, Smith H, Weaver SLW, Shipman ST |
| 6328 - 6342 |
Theoretical Insights into D-D-pi-A Sensitizers Employing N-Annulated Perylene for Dye-Sensitized Solar Cells
Estrella LL, Balanay MP, Kim DH |
| 6343 - 6348 |
Making the Coupled Cluster Correlation Energy Machine-Learnable
Margraf JT, Reuter K |
| 6349 - 6353 |
Real Gentile Statistical Systems: N-Annulenes
Shen Y, Zhao YL |
