1 - 5 |
Reorientation of hydroxide ions in water Thogersen J, Jensen SK, Petersen C, Keiding SR |
6 - 10 |
Theoretical study of structure, energetic and intramolecular hydrogen transfer of hypocrellin A Liang YH, Yi PG, Peng HL |
11 - 15 |
Relative stability and thermodynamic properties of Si2H4 isomers Dolgonos G |
16 - 20 |
Influence of kinetic coupling in rectilinear coordinates on the vibrational spectrum of fluoroform Cassam-Chenai P, Scribano Y, Lievin J |
21 - 26 |
The most stable conformer of benzyl alcohol Miller BJ, Kjaergaard HG, Hattori K, Ishiuchi S, Fujii M |
27 - 31 |
Photodissociation dynamics of benzenesulfonic acid at 266 nm: OH detection by laser-induced fluorescence Zhou CH, Cheng SB, Sun JL, Yin HM, Han KL, He GZ |
32 - 36 |
A comparison of C-C rotational barrier in [2]staffane, [2]tetrahedrane and ethane Ebrahimi A, Habibi SM, Sanati A, Mohammadi M |
37 - 43 |
Theoretical study on the electronic structures and optical properties of oxadisilole-substituted acenes Pan XM, Cui LL, Lui LL, Yang GC, Su ZM, Wang RS |
44 - 49 |
Towards gold shells shaped by carbon cores: From a gold cage to a core-shell aurocarbon Naumkin FY |
50 - 55 |
Circa conservation of vibrational energy among three strongly coupled modes of a cyanine dye molecule studied by quantum-beat spectroscopy with a 7 fs laser Kobayashi T, Wang Y, Wang Z, Iwakura I |
56 - 60 |
Ab initio study of dispersion of optic-like modes in a molten salt: Effect of ion polarization Bryk T, Mryglod I |
61 - 64 |
The role of second shell quantum effects on the preferential solvation of Li+ in aqueous ammonia: An extended ab initio QM/MM MD simulation with enlarged QM region Tongraar A, Rode BM |
65 - 67 |
Evidence of photoinduced charge transfer in C-60/GaAs(100) bilayers by pump-probe measurements Sessi P, Brambilla A, Finazzi M, Duo L, Cabanillas-Gonzalez J, Egelhaaf HJ, Lanzani G, Ciccacci F |
68 - 71 |
Modeling the electrified solid-liquid interface Rossmeisl J, Skulason E, Bjorketun ME, Tripkovic V, Norskov JK |
72 - 75 |
Circumacenes versus periacenes: HOMO-LUMO gap and transition from nonmagnetic to magnetic ground state with size Jiang DE, Dai S |
76 - 78 |
DFT calculations of KI crystals formed within single-walled carbon nanotubes Sceats EL, Green MLH, Kirkland AI, Green JC |
79 - 83 |
On the existence and stability of single walled SiGe nanotubes Rathi SJ, Ray AK |
84 - 87 |
Relative stability of nanosized wurtzite and graphitic ZnO from density functional theory Wen B, Melnik R |
88 - 90 |
Thermally stable luminescence of SrMg2(PO4)(2): Eu2+ phosphor for white light NUV light-emitting diodes Wu ZC, Liu J, Gong ML |
91 - 94 |
Band structure calculations based on screened Fock exchange method Shimazaki T, Asai Y |
95 - 99 |
Homonuclear dipolar decoupling at magic-angle spinning frequencies up to 65 kHz in solid-state nuclear magnetic resonance Leskes M, Steuernagel S, Schneider D, Madhu PK, Vega S |
100 - 103 |
Potential energy surface for H2CN by a dual-level interpolation approach Guo Y |