1 - 15 |
The vibrating hydroxide ion in water Hermansson K, Bopp PA, Spangberg D, Pejov L, Bako I, Mitev PD |
16 - 20 |
Sequential growth simulation of (NH3)(n) clusters (n=2-8) in ultracold superfluid environment Patrone M, Mella M |
21 - 25 |
Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine Alparone A |
26 - 28 |
In-situ production of PH3 from red phosphorus and atomic hydrogen Umemoto H, Nishihara Y, Ishikawa T |
29 - 31 |
(OCO)-O-17-C-12-O-17 and (OCO)-O-18-C-12-O-17 overtone spectroscopy in the 1.64 mu m region Vaernewijck XDD, Kassi S, Herman M |
32 - 35 |
Can two trivalent N atoms engage in a direct N center dot center dot center dot N noncovalent interaction? Scheiner S |
36 - 39 |
The S center dot center dot center dot N noncovalent interaction: Comparison with hydrogen and halogen bonds Adhikari U, Scheiner S |
40 - 43 |
N plus CN -> C + N-2: A global potential energy surface, entrance channel recrossing and the applicability of capture theory Frankcombe TJ, McNeil SD, Nyman G |
44 - 48 |
Reinvestigation of spectroscopic properties for ammonia-hydrogen halide complexes from Car-Parrinello Molecular Dynamics Panek P, Biczysko M, Latajka Z |
49 - 53 |
On the blue-shifting hydrogen bond in tribromoacetaldehyde dimers Szostak R |
54 - 57 |
Effects of FeSb6 octahedral deformations on the electronic structure of LaFe4Sb12 Pulikkotil JJ, Alshareef HN, Schwingenschlogl U |
58 - 61 |
Nanoparticle-electrode collision processes: Investigating the contact time required for the diffusion-controlled monolayer underpotential deposition on impacting nanoparticles Cutress IJ, Rees NV, Zhou YG, Compton RG |
62 - 65 |
Origin of the low temperature excess heat capacity of isotopically substituted acetylsalicylic acid Schroder F, Winkler B, Bauer JD, Haussuehl E, Escoto BR, Lopez FT, Borja MA, Richter C, Ferner J |
66 - 69 |
Calcium coated B-80 fullerene: A study on various coating configurations of B-80 Olguin M, Baruah T, Zope RR |
70 - 73 |
Comparison of competition between T = O and T-OH groups in vanadium, niobium, tantalum BEA zeolite and SOD based zeolites Wojtaszek A, Ziolek M, Dzwigaj S, Tielens F |
74 - 78 |
Thermal analysis and theoretical study of alpha-cyclodextrin azomethine [2]-rotaxane formation by semi-empirical method PM3 Farcas A, Fifere A, Stoica I, Farcas F, Resmerita AM |
79 - 82 |
Surface-plasmon enhanced ultrafast third-order optical nonlinearities in ellipsoidal gold nanoparticles embedded bismuthate glasses Chen FF, Dai SX, Xu TF, Shen X, Lin CG, Nie QH, Liu C, Heo J |
83 - 87 |
Adsorption and photodesorption of CO from single C-60 molecules studied from first principles Mitschker J, Kluener T |
88 - 93 |
Transition behavior on lattices with ladders. Part II: Sensitivity to coupling Garza-Lopez RA, Kozak JJ |
94 - 97 |
Scanning tunneling spectroscopy of fluorinated phthalocyanine molecules on magnetic metal surfaces Takada M, Tada H |
98 - 103 |
Two-photon and three-photon absorption in dinaphthoporphycenes Rao SV, Prashant TS, Swain D, Sarma T, Panda PK, Tewari SP |
104 - 108 |
Density functional theory characterization of lanthanum nitride endohedral fullerene: La3N@C-92 Zheng JJ, Zhao X, Dang JS, Chen YM, Xu Q, Wang WW |
109 - 113 |
First principles study on the structure and STM image of acetylene adsorption on Ge(001) Fan XL, Cheng QZ, Ahmad S, Zhang YF, Lau WM |
114 - 118 |
Synthesis and third-order optical nonlinearities of ferrocenyl Schiff base Jia JH, Tao XM, Li YJ, Sheng WJ, Han L, Gao JR, Zheng YF |
119 - 123 |
The catalytic properties of sub-surface H layers on Cu(111) Shuttleworth IG |
124 - 127 |
Dynamic phenomena and viscous properties in a liquid crystal: A theoretical treatment and molecular dynamic simulations Capar MI, Cebe E, Zakharov AV |
128 - 133 |
Characterization of single transition metal oxide nanorods by combining atomic force microscopy and polarized micro-Raman spectroscopy Najjar S, Talaga D, Coffinier Y, Szunerits S, Boukherroub R, Servant L, Couzi M, Bonhommeau S |
134 - 140 |
Enhanced nonlinearites of functionalized single wall carbon nanotubes with diethynylsilane derivatives Machado AED, Dos Santos HF, de Almeida WB |
141 - 145 |
Silver nanoparticle doped TiO2 nanofiber dye sensitized solar cells Li JW, Chen X, Ai N, Hao JM, Chen Q, Strauf S, Shi Y |
146 - 150 |
Packing effects in organic donor-acceptor molecular heterojunctions Fujii M, Yamashita K |
151 - 155 |
Tailoring of SnS quantum dots in mesoporous media for efficient photoelectrochemical device Miyauchi M |
156 - 158 |
Molecular origin of the cosolvent-induced changes in the thermal stability of proteins Shimizu S |
159 - 163 |
Mode-selection and mode-switching of an autonomous motor composed of a camphor rotor and a mobile loop Nakata S, Tenno R, Ikura YS |
164 - 167 |
An atomistic fourth-order virial equation of state for Argon from first principles calculations Wiebke J, Schwerdtfeger P, Moyano GE, Pahl E |
168 - 173 |
N-14 magic angle spinning overtone NMR spectra O'Dell LA, Ratcliffe CI |
174 - 180 |
Anisotropic charge injection and transport in the cross stacking crystal of distyrylbenzene derivative and a possible new device structure Liu DD, Xu H, Liu XD, Xie ZQ, Yang B, Ma YG |
181 - 186 |
H-2 quadrupolar Carr-Purcell-Meiboom-Gill NMR for paramagnetic solids Iijima T, Nishimura K |