1 - 14 |
Towards the complete understanding of water by a first-principles computational approach Szalewicz K, Leforestier C, van der Avoird A |
15 - 19 |
What is the energy barrier for H-2 dissociation on Group 13 sub-nanosized metal cluster to form dihydride? Density functional dependence study Moc J |
20 - 23 |
Kinetics of the gas phase reactions of chlorine atoms and OH radicals with CF3CBr = CH2 and CF3CF2CBr = CH2 Andersen MPS, Hurley MD, Wallington TJ |
24 - 29 |
Electron density analysis of tautomeric mechanisms of adenine, thymine and guanine and the pairs of thymine with adenine or guanine Mejia-Mazariegos L, Hernandez-Trujillo J |
30 - 33 |
Lifetimes of compounds made of noble-gas atoms with water Tsivion E, Gerber RB |
34 - 37 |
Theoretical studies on ground and excited states of the BrO4 radical Grein F |
38 - 43 |
Photophysics of the Trp-Gly dipeptide: Role of electron and proton transfer processes for efficient excited-state deactivation Shemesh D, Hattig C, Domcke W |
44 - 49 |
Linear response coupled cluster study of the benzene excimer Rocha-Rinza T, Christiansen O |
50 - 55 |
Dopant low-n Rydberg states in CF4 and CH4 near the critical point Li LX, Shi XB, Findley GL, Evans CM |
56 - 61 |
O-2(a(1)Delta) quenching in the O/O-2/O-3 system Azyazov VN, Mikheyev P, Postell D, Heaven MC |
62 - 65 |
Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations Fan SW, Yao KL, Huang ZG, Zhang J, Gao GY, Du GH |
66 - 71 |
An NMR investigation on the adducted hydrogen in weak ferromagnetic rhombohedral C-60 polymers Yu Y, Wu JB, Gu M, Zhang WY, Cui GL, Xu XB, Feng D, Tang TB |
72 - 76 |
Novel perylene bisimide derivative with fluorinated shell: A multifunctional material for use in optoelectronic devices Liu D, Ren HC, Li JY, Tao Q, Gao ZX |
77 - 80 |
Spectroscopic study of propargyl chloride attachment on Si(100)-2 x 1 Shao YX, Cai YH, Dong D, Wang SA, Ang SG, Xu GQ |
81 - 86 |
Photophysics of a new photosensitizer with high quantum yield of singlet oxygen generation and its application to stereo-selective synthesis of (+)-deoxoartemisinin Wang KK, Choi KH, Shin HW, Kim BJ, Im JE, Oh SL, Park NS, Jung M, Oh JB, Lee MJ, Kim HK, Kim YR |
87 - 92 |
Photochemistry of the glyoxal-hydrogen peroxide complexes in solid argon: Formation of 2-hydroxy-2-hydroperoxyethanal Mucha M, Mielke Z |
93 - 98 |
Photoblinking dynamics in single calix[4]arene-linked perylene bisimide dimers Ernst D, Hildner R, Hippius C, Wurthner F, Kohler J |
99 - 104 |
Charge-transfer complexes of conjugated polymers as intermediates in charge photogeneration for organic photovoltaics Bakulin AA, Martyanov D, Paraschuk DY, van Loosdrecht PHM, Pshenichnikov MS |
105 - 109 |
Rheological and electrical percolation in melt-processed poly(ether ether ketone)/multi-wall carbon nanotube composites Bangarusampath DS, Ruckdaschel H, Altstadt V, Sandler JKW, Garray D, Shaffer MSP |
110 - 113 |
Dangling bond energetics in carbon nitride and phosphorus carbide thin films with fullerene-like and amorphous structure Gueorguiev GK, Broitman E, Furlan A, Stafstrom S, Hultman L |
114 - 117 |
Determination of electronic states of individually dissolved (n,m) single-walled carbon nanotubes in solution Tanaka Y, Hirayama K, Niidome Y, Nakashima N |
118 - 120 |
Magnetic field-assisted hydrothermal synthesis of magnetic microwire arrays Pang H, Gao F, Guan LN, Huang YM, Lu QY |
121 - 124 |
Structure and stability of B13N13 polyhedrons with octagon(s) Li R, Gan LH, Li Q, An J |
125 - 128 |
Grazing incidence X-ray diffraction study on carbon nanowalls Yoshimura H, Yamada S, Yoshimura A, Hirosawa I, Kojima K, Tachibana M |
129 - 133 |
Colorimetric response of azobenzene-terminated polydiacetylene vesicles under thermal and photic stimuli You X, Chen X, Zou G, Su W, Zhang QJ, He PS |
134 - 138 |
Active anatase (001)-like surface of hydrothermally synthesized titania nanotubes Chen Q, Mogilevsky G, Wagner GW, Forstater J, Kleinhammes A, Wu Y |
139 - 142 |
Influence of alcohols and osmolytes on thermal stability and catalytic activity of myoglobin: Co-solvent clustering effects Bellezza F, Cipiciani A, Cinelli S, Onori G |
143 - 147 |
Dynamics of vibrational and electronic coherences in the electronic excited state studied in a negative-time range Kobayashi T, Yabushita A |
148 - 152 |
The Auger spectra and the calculation of double-ionization potentials for H2O and NH3 using the Diffusion Quantum Monte Carlo method Streit L, Custodio R |
153 - 155 |
On two types of geometric-arithmetic index Zhou B, Gutman I, Furtula B, Du ZB |
156 - 159 |
Simple relation for estimating the relative mobility of geminate ions using the influence of electric field on the geminate recombination Borovkov VI |
160 - 164 |
Theoretical prediction and the characters of a new type of weak interaction: A single-electron sodium bond system with H-Be as an electron donor and Na-Y (Y = H, OH, F, CCH, CN and NC) as electron acceptors Li ZF, Li HX, Zhu YC, Zuo GF |
165 - 170 |
Molecular dynamics algorithms for quantum Monte Carlo methods Miura S |