| 1121 - 1128 |
Insights from Chiral Polyfluorene on the Unification of Molecular Exciton and Cholesteric Liquid Crystal Theories for Chiroptical Phenomena
Lakhwani G, Meskers SCJ |
| 1129 - 1136 |
Isomer- and Species-Selective Infrared Spectroscopy of Jet-Cooled 7H-and 9H-2-Aminopurine and 2-Aminopurine center dot H2O Clusters
Sinha RK, Lobsiger S, Leutwyler S |
| 1137 - 1145 |
Ab Initio Calculation of the Electronic Absorption of Functionalized Octahedral Silsesquioxanes via Time-Dependent Density Functional Theory with Range-Separated Hybrid Functionals
Phillips H, Zheng SH, Hyla A, Laine R, Goodson T, Geva E, Dunietz BD |
| 1146 - 1150 |
Excitation Energy Shuttling in Oligothiophene-Diketopyrrolopyrrole-Fullerene Triads
Karsten BP, Smith PP, Tamayo AB, Janssen RAJ |
| 1151 - 1158 |
Substituent Effects on Twisted Internal Charge Transfer Excited States of N-Borylated Carbazoles and (Diphenylamino)boranes
Wang J, Wang Y, Taniguchi T, Yamaguchi S, Irle S |
| 1159 - 1167 |
What Factors Control Product Yield in Charge Separation Reaction from Second Excited State in Zinc-Porphyrin Derivatives?
Rogozina MV, Lonkin VN, Ivanov AI |
| 1168 - 1175 |
Theoretical Insight into Stereoselective Reaction Mechanisms of 2,4-Pentanediol-Tethered Ketene-Olefin [2+2] Cycloaddition
Kamiya K, Matsui T, Sugimura T, Shigeta Y |
| 1176 - 1182 |
Flash Photolysis Study of Complexes between Salicylic Acid and Lanthanide Ions in Water
Primus PA, Kumke MU |
| 1183 - 1190 |
Radical/pi-Bond Addition between o-Benzyne and Cyclic C-5 Hydrocarbons
Comandini A, Brezinsky K |
| 1191 - 1198 |
Viscosity Dependence of Intra- and Intermolecular Diels-Alder Reactions
Tiwari S, Kumar A |
| 1199 - 1207 |
Photochemistry of Riboflavin Derivatives in Methanolic Solutions
Insinska-Rak M, Golczak A, Sikorski M |
| 1208 - 1212 |
Anomalous Conformational Change in 1-Butyl-3-methylimidazolium Tetrafluoroborate-D2O Mixtures
Hatano N, Watanabe M, Takekiyo T, Abe H, Yoshimura Y |
| 1213 - 1223 |
CMM-RS Potential for Characterization of the Properties of the Halogen-Bonded OC-Cl-2 Complex, and a Comparison with Hydrogen-Bonded OC-HCl
Springer SD, Rivera-Rivera LA, McElmurry BA, Wang ZC, Leonov II, Lucchese RR, Legon AC, Bevan JW |
| 1224 - 1236 |
Intermolecular Interaction between CO or CO2 and Ethylene Oxide or Ethylene Sulfide in a Complex, Investigated by Fourier Transform Microwave Spectroscopy and Ab Initio Calculations
Kawashima Y, Sato A, Orita Y, Hirota E |
| 1237 - 1250 |
Performance of the Density Matrix Functional Theory in the Quantum Theory of Atoms in Molecules
Garcia-Revilla M, Francisco E, Costales A, Pendas AM |
| 1251 - 1260 |
Theoretical Investigation on the Chiral Diamine-Catalyzed Epoxidation of Cyclic Enones: Mechanism and Effects of Cocatalyst
Lv PL, Zhu RX, Zhang DJ, Duan CG, Liu CB |
| 1261 - 1271 |
Theoretical Study of the Aluminum Distribution Effects on the Double Proton Transfer Mechanisms upon Adsorption of 4,4'-Bipyridine on H-ZSM-5
Akacem Y, Castella-Ventura M, Kassab E |
| 1272 - 1282 |
Analysis of Electron Correlation Effects and Contributions of NMR J-Couplings from Occupied Localized Molecular Orbitals
Zarycz N, Aucar GA |
| 1283 - 1288 |
Modeling Nonaqueous Proton Wires Built from Helical Peptides: Biased Proton Transfer Driven by Helical Dipoles
Lopez GE, Colon-Diaz I, Cruz A, Ghosh S, Nicholls SB, Viswanathan U, Hardy JA, Auerbach SM |
| 1289 - 1297 |
Proton Transfers along Hydrogen Bonds in the Tautomerization of Purine
Yamabe S, Fukuda T, Yamazaki S |
| 1298 - 1306 |
Prereactive Complexes in Chlorination of Benzene, Triazine, and Tetrazine: A Quantum Chemical Study
Sakic D, Vrcek V |
| 1307 - 1315 |
Isomerization and Dissociation of n-Butylbenzene Radical Cation
Halbert S, Bouchoux G |
| 1316 - 1317 |
Comment on "Frequency Upshift in BO2 and CO2+ upon Electronic Excitation: A Twin-State Model Rationalization"
Bersuker IB |
| 1318 - 1318 |
Reply to "Comment on'The Frequency Upshift in BO2 and CO2+ upon Electronic Excitation: A Twin-State Model Rationalization'
Zilberg S, Haas Y |
