1 - 5 |
Quantum scattering of NO(X-2 Pi) with He(S-1): Temperature dependence of rotational (de)-excitation rate coefficients Klos J, Lique F, Alexander MH |
6 - 12 |
Polarization-dependent two-photon absorption for the determination of protein secondary structure: A theoretical study Wanapun D, Wampler RD, Begue NJ, Simpson GJ |
13 - 19 |
On the excited-state multi-dimensionality in cyanines Dietzek B, Brueggemann B, Persson P, Yartsev A |
20 - 25 |
Theoretical study on the reaction of bromine-substituted ethanes with hydrogen atoms Wang L, Liu JY, Wan SQ, Li ZS |
26 - 31 |
Detection of SH and CS radicals by cavity ringdown spectroscopy in a hot filament chemical vapor deposition environment Buzaianu MD, Makarov VI, Morell G, Weiner BR |
32 - 37 |
Can B B triple bond be as potential proton acceptor: An ab initio study on unusual intermolecular T-shaped X-H center dot center dot center dot pi interactions between OCB BCO and HF, HCl, HCN or H2C2 Ren FD, Cao DL, Wang WL, Wang JL, Li YX, Hu ZY, Chen SS |
38 - 41 |
The luminescent [Mo6X8(NCS)(6)](2-) ( X = Cl, Br, I) clusters?: A computational study based on time-dependent density functional theory including spin-orbit and solvent-polarity effects Ramirez-Tagle R, Arratia-Perez R |
42 - 46 |
Fluorescence enhancement of epicocconone in its complexes with cyclodextrins Burai TN, Panda D, Datta A |
47 - 51 |
First principles studies of the potential-induced lifting of the Au(100) surface reconstruction Venkatachalam S, Kaghazchi P, Kibler LA, Kolb DM, Jacob T |
52 - 54 |
Temperature influence on dual fluorescence of 4-(dimethylamino) benzaldehyde in 1,2-dichloroethane and ethyl acetate Kawski A, Kuklinski B, Bojarski P |
55 - 58 |
Photonic band gap and photoluminescence properties of LaPO4 : Tb inverse opal Yang ZW, Zhou J, Huang XG, Yang G, Xie Q, Sun L, Li B, Li LT |
59 - 63 |
Isotope effects on the spin-density distribution in the H-6(+) clusters: Direct ab initio molecular dynamics study Kurosaki Y, Shimizu Y, Kumagai J |
64 - 71 |
DFT studies on the phenol and thiophenol interaction on an undecagold cluster surface Jayanthi N, Cruz J, Pandiyan T |
72 - 78 |
Triplet state properties of [Os(phen)(2)(dppene)](2+) in different host materials and host to guest energy transfer in PVK Pentlehner D, Grau I, Yersin H |
79 - 82 |
High-efficiency nondoped green organic light-emitting devices Tong QX, Lai SL, Chan MY, Zhou YC, Kwong HL, Lee CS, Lee ST |
83 - 87 |
Appearance of radial breathing modes in Raman spectra of multi-walled carbon nanotubes upon laser illumination Rai P, Mohapatra DR, Hazra KS, Misra DS, Ghatak J, Satyam PV |
88 - 92 |
Increased stability of C-60 encapsulated in double walled carbon nanotubes Scipioni R, Oshiyama A, Ohno T |
93 - 97 |
Synthesis and photoluminescence of hollow microspheres constructed with ZnO nanorods by H-2 bubble templates Li L, Yang HQ, Qi GC, Ma JH, Xie XL, Zhao H, Gao F |
98 - 102 |
Predicting face-to-face arene-arene binding energies Beg S, Waggoner K, Ahmad Y, Watt M, Lewis M |
103 - 109 |
Analytical representation of the Becke-Roussel exchange functional Proynov E, Gan Z, Kong J |
110 - 119 |
Comparison between optimized effective potential and Kohn-Sham methods Hesselmann A, Gorling A |
120 - 123 |
A note on Kirchhoff index Zhou B, Trinajstic N |
124 - 130 |
Hartree-Fock and standard density functional theory methods applied to excited states: The case of NO2 Grein F |