| 4235 - 4242 |
Quasiclassical Trajectory Study of the C(D-1) + H-2 -> CH plus H Reaction on a New Global ab Initio Potential Energy Surface
Wu Y, Zhang CF, Cao JW, Bian WS |
| 4243 - 4248 |
Morphing the Internal Dynamics of Acetylacetone by CH3 -> CF3 Substitutions. The Rotational Spectrum of Trifluoroacetylacetone
Favero LB, Evangelisti L, Velino B, Caminati W |
| 4249 - 4255 |
Spin Dynamics of Radical Pairs with Restricted Geometries and Strong Exchange Coupling: The Role of Hyperfine Coupling
Zarea M, Carmieli R, Ratner MA, Wasielewski MR |
| 4256 - 4265 |
Structures of Protonated Thymine and Uracil and Their Monohydrated Gas-Phase Ions from Ultraviolet Action Spectroscopy and Theory
Pedersen SO, Byskov CS, Turecek F, Nielsen SB |
| 4266 - 4277 |
Structural and Energetic Properties of Acetonitrile-Group IV (A & B) Halide Complexes
Helminiak HM, Knauf RR, Danforth SJ, Phillips JA |
| 4278 - 4287 |
Density Functional Theory Study of RhnS0,+/- and Rh-n+1(0,+/-) (n=1-9)
Lecours MJ, Chow WCT, Hopkins WS |
| 4288 - 4300 |
DFT Study on the Mechanisms and Diastereoselectivities of Lewis Acid-Promoted Ketene-Alkene [2+2] Cycloadditions: What is the Role of Lewis Acid in the Ketene and C = X (X = O, CH2, and NH) [2+2] Cycloaddition Reactions?
Wang Y, Wei DH, Li ZY, Zhu YY, Tang MS |
| 4301 - 4308 |
Exciton Coupling Model for the Emergence of Second Harmonic Generation from Assemblies of Centrosymmetric Molecules
Snyder GR, Chowdhury AU, Simpson GJ |
| 4309 - 4314 |
Doped Aluminum Cluster Anions: Size Matters
Jimenez-Izal E, Moreno D, Mercero JM, Matxain JM, Audiffred M, Merino G, Ugalde JM |
| 4315 - 4324 |
Anion Receptors Based on Highly Fluorinated Aromatic Scaffolds
Mohan N, Suresh CH |
| 4325 - 4338 |
Car Theory Extended for Polyacenes and Beyond
Bhattacharya D, Panda A, Misra A, Klein DJ |
| 4339 - 4350 |
Importance of C*-H Based Modes and Large Amplitude Motion Effects in Vibrational Circular Dichroism Spectra: The Case of the Chiral Adduct of Dimethyl Fumarate and Anthracene
Passarello M, Abbate S, Longhi G, Lepri S, Ruzziconi R, Nicu VP |
| 4351 - 4362 |
Fundamental Relation between Molecular Geometry and Real-Space Topology. Combined AIM, ELI-D, and ASF Analysis of Hapticities and Intramolecular Hydrogen-Hydrogen Bonds in Zincocene-Related Compounds
Mebs S, Chilleck MA, Meindl K, Hubschle CB |
