| 535 - 544 |
Calculation of Kinetic Isotope Effects for Intramolecular Hydrogen Shift Reactions Using Semiclassical Instanton Approach
Kryvohuz M |
| 545 - 553 |
A Global Potential Energy Surface Describing the N(D-2) + H2O Reaction and a Quasiclassical Trajectory Study of the Reaction to NH plus OH
Homayoon Z, Bowman JM |
| 554 - 560 |
Theoretical Kinetics Study of the F(P-2) + NH3 Hydrogen Abstraction Reaction
Espinosa-Garcia J, Fernandez-Ramos A, Suleimanov YV, Corchado JC |
| 561 - 572 |
A Combined Experimental and Theoretical Study of the Ti-2 + N2O Reaction
Marzouk A, Bolvin H, Reinhardt P, Manceron L, Perchard JP, Tremblay B, Alikhani ME |
| 573 - 578 |
Role of Crystal Field in Mixed Alkali Metal Effect: Electron Paramagnetic Resonance Study of Mixed Alkali Metal Oxyfluoro Vanadate Glasses
Honnavar GV, Ramesh KP, Bhat SV |
| 579 - 582 |
Halogen Bond and Free Internal Rotation: The Microwave Spectrum of CF3Cl-Dimethyl Ether
Evangelisti L, Feng G, Gou Q, Grabow JU, Caminati W |
| 583 - 591 |
Temperature-Dependent Deliquescent and Efflorescent Properties of Methanesulfonate Sodium Studied by ATR-FTIR Spectroscopy
Zeng G, Kelley J, Kish JD, Liu Y |
| 592 - 597 |
Calculating and Modeling the Exchange Energies of Homonuclear and Heteronuclear Alkali Dimers Based on the Surface Integral Method
Chen YM, Kuang XY, Sheng XW, Yan XZ |
| 598 - 605 |
Water Adsorption and Dissociation Processes on Small Mn-Doped TiO2 Complexes
Lee C, Aikens CM |
| 606 - 622 |
Quantum-Chemical Predictions of pK(a)'s of Thiols in DMSO
Yu HZ, Yang YM, Zhang L, Dang ZM, Hu GH |
| 623 - 637 |
Physical Nature of Interactions in Zn-II Complexes with 2,2'-Bipyridyl: Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Noncovalent Interactions (NCI), and Extended Transition State Coupled with Natural Orbitals for Chemical Valence (ETS-NOCV) Comparative Studies
Cukrowski I, de Lange JH, Mitoraj M |
| 638 - 645 |
Superalkalis and Superhalogens As Building Blocks of Supersalts
Giri S, Behera S, Jena P |
| 646 - 654 |
On the Choice of the Ab Initio Level of Theory for Potential Energy Surface Developments
Czako G, Szabo I, Telekes H |
