1 - 10 |
Molecular dance: Water's collective modes Shultz MJ, Bisson P, Vu TH |
11 - 16 |
Monte Carlo evaluation of the equilibrium isotope effects using the Takahashi-Imada factorization of the Feynman path integral Buchowiecki M, Vanicek J |
17 - 21 |
Heat of formation and thermochemical parameters of silole Denis PA, Tam NM, Nguyen MT |
22 - 26 |
Analytical potential energy surface for O + C2H2 system Garashchuk S, Rassolov VA, Braams BJ |
27 - 30 |
Relaxation dynamics of the mass-selected hydrated Auride ion (Au-) Braun C, Proch S, Kim YD, Gantefor G |
31 - 36 |
The influence of cation-pi and anion-pi interactions on some NMR data of s-triazine center dot center dot center dot HF hydrogen bonding: A theoretical study Masoodi HR, Bagheri S, Mohammadi M, Zakarianezhad M, Makiabadi B |
37 - 42 |
The same in the bulk but different as clusters: X3Y3 (X = B, Al, Ga; Y = P, As) Alexandrova AN, Nechay MR, Lydon BR, Buchan DP, Yeh AJ, Tai MH, Kostrikin IP, Gabrielyan L |
43 - 46 |
Complexation of anions to gas-phase amino acids: Conformation is critical in determining if the global minimum is canonical or zwitterionic Walker M, Sen A, Harvey AJA, Dessent CEH |
47 - 50 |
Theoretical study of the interplay between halogen bond and lithium-pi interactions: Cooperative and diminutive effects Esrafili MD, Esmailpour P, Mohammadian-Sabet F, Solimannejad M |
51 - 56 |
Employment of quantum chemical descriptors for Hammett constants: Revision Suggested for the acetoxy substituent Papp T, Kollar L, Kegl T |
57 - 62 |
Ab initio study of NMR shielding of alkali earth metal ions in water complexes and magnetic moments of alkali earth metal nuclei Antusek A, Rodziewicz P, Kedziera D, Kaczmarek-Kedziera A, Jaszunski M |
63 - 67 |
Structures of cobalt oxide cluster cations studied by ion mobility mass spectrometry Ota K, Koyasu K, Ohshimo K, Misaizu F |
68 - 75 |
Theoretical study on the electronic structures and photophysical properties of a series of Ir(III) complexes based on substituted 2-(pyrazol-3-yl)pyridine ligand Shang XH, Han DM, Li DF, Guan S, Wu ZJ |
76 - 81 |
Aqueous fluoride ion sensing by a new perylenediimide derivative: Interaction between the hydrated fluoride and the aromatic molecule Maiti DK, Roy S, Datta A, Banerjee A |
82 - 86 |
Time-dependent yield of (OH)-O-center dot radicals in the low linear energy transfer radiolysis of water between 25 and 350 degrees C Sanguanmith S, Meesungnoen J, Jay-Gerin JP |
87 - 90 |
Electrical current profile of a confined isotropic liquid sample: Biological systems and liquid crystals applications de Almeida RRR, Michels FS, Steffen V, Lenzi EK, Zola RS, Evangelista LR |
91 - 96 |
Photochemical cleavage of individual stereoisomers of coumarin-5-fluorouracil crossdimers via single- and two-photon-absorption Behrendt PJ, Kim HC, Hampp N |
97 - 101 |
Intermolecular interactions in binary system of 1-methylimidazole with methanol: A volumetric and theoretical investigation Guo C, Fang H, Huang RY, Xu H, Wu GH, Ye SY |
102 - 108 |
Electronic structure of SrTi1-xMxO3-delta (M = Co, Ni, Cu) perovskite-type doped-titanate crystals by DFT and DFT plus U calculations Carlotto S, Natile MM, Glisenti A, Vittadini A |
109 - 113 |
Thickness-dependent effects in H2O desorption from glycine/amorphous solid water films Tzvetkov G, Netzer FP |
114 - 118 |
Artificial environment and the structure of gradient soft matter Wu DM, Huang Y, Meng QY |
119 - 123 |
Deposition of matrix-free fullerene films with improved morphology by matrix-assisted pulsed laser evaporation (MAPLE) Canulescu S, Schou J, Faester S, Hansen KV, Conseil H |
124 - 130 |
Analyses of mineral specific surface area and hydroxyl substitution for intact bone Taylor AJ, Rendina E, Smith BJ, Zhou DHH |
131 - 135 |
A nonlinear optical switch induced by conformation conversion of alkali metal doped nano-carbon bowls Li WQ, Zhou X, Chang Y, Feng JK, Tian WQ, Sun XD, Shao B |
136 - 140 |
Ultrafast optical nonlinearity in nanostructured selenium allotropes Mary KAA, Unnikrishnan NV, Philip R |
141 - 144 |
Influence of matrix rigidity on the internal twisting of electronically excited thioflavin T in polymer nanostructures Lee Y, Kim YL, Kim MH, Lee M |
145 - 149 |
The self-organization and functional activity of binary system based on erucyl amidopropyl betaine - alkylated polyethyleneimine Gaynanova GA, Valiakhmetova AR, Kuryashov DA, Kudryashova YR, Lukashenko SS, Syakaev VV, Latypov SK, Bukharov SV, Bashkirtseva NY, Zakharova LY |
150 - 154 |
Inverse relaxation effect of azo-dye molecules: The role of the film anisotropy Sehnem AL, Faita FL, Cabrera FC, Job AE, Bechtold IH |
155 - 159 |
Protonation and deprotonation effects on charge transports of butane-based molecular junctions Song Y, Zou DQ, Xie Z, Zhang GP, Li ZL, Wang CK |
160 - 166 |
Scanning near field optical microscopy of gold nano-disc arrays fabricated by electron beam lithography and their application as surface enhanced Raman scattering substrates Mohiddon MA, Sangani LDV, Krishna MG |
167 - 173 |
Stability of uncapped gold nanoparticles produced by laser ablation in deionized water: The effect of post-irradiation Kim KK, Kwon HJ, Shin SK, Song JK, Park SM |
174 - 179 |
Reduced blinking behavior of single 2-mercapto ethanol capped CdTe quantum dots Mandal A, Tamai N |
180 - 183 |
Topography of borosilicate glass reacting interface under aqueous corrosion Delaye JM, Kerrache A, Gin S |
184 - 187 |
Lasing of pyrromethene 567 in solid matrices Valiev RR, Telminov EN, Solodova TA, Ponyavina EN, Gadirov RM, Mayer GV, Kopylova TN |
188 - 192 |
Optical properties of oxide glasses with semiconductor nanoparticles co-doped with rare earth ions Neto MC, Silva GH, Carmo AP, Pinheiro AS, Dantas NO, Bell MJV, Anjos V |
193 - 197 |
Mechanochemical synthesis of nanocrystalline BaFCl:Sm3+ storage phosphor by ball milling Liu ZQ, Stevens-Kalceff MA, Wang XL, Riesen H |
198 - 202 |
Tunable sulfur desorption in exfoliated MoS2 by means of thermal annealing in ultra-high vacuum Donarelli M, Bisti F, Perrozzi F, Ottaviano L |
203 - 207 |
Theoretical study on the interaction of pristine, defective and strained graphene with Fe-n and Ni-n (n=13, 38, 55) clusters Song W, Jiao MG, Li K, Wang Y, Wu ZJ |
208 - 214 |
Hartree-Fock and density functional theory studies on tautomerism of 5,5'-diisopropyl-3,3'-bipyrazole in gas phase and solution Bouabdallah I, Rahal M, Harit T, El Hajbi A, Malek F, Eddike D, Tillard M, Ramdani A |
215 - 219 |
N-nitrosation of N-acetyltryptophan probed by IR spectroscopy of the gaseous anion Lanucara F, Chiavarino B, Fornarini S, Crestoni ME |
220 - 225 |
First-principles study of one and two-photon absorption of an artificial fluorescent protein chromophore by 5-hydroxytryptophan substitution Zhang MY, Li GS, Li LP |
226 - 230 |
Molecular dynamics study on the free energy profile for dissociation of ADP from N-terminal domain of Hsp90 Kawaguchi K, Saito H, Okazaki S, Nagao H |
231 - 236 |
Differences in excitation energy transfer of Arthrospira platensis cells grown in seawater medium and freshwater medium, probed by time-resolved fluorescence spectroscopy Arba M, Aikawa S, Niki K, Yokono M, Kondo A, Akimoto S |
237 - 241 |
Structural properties and stability of PNA with (2' R, 4' R)-and (2' R, 4' S)-prolyl-(1S, 2S)-2-aminocyclopentanecarboxylic acid backbone binding to DNA: A molecular dynamics simulation study Poomsuk N, Siriwong K |
242 - 246 |
Coupling between magnetic and optical properties of GaN:TM (TM: V, Cr, Mn, Fe, Co, Ni): First-principle study with LDA-SIC approximation Salmani E, Mounkachi O, Ez-Zahraouy H, Benyoussef A, Hamedoun M, Hlil E |
247 - 252 |
Linearized ring current models for the retrieval of pi ring current strength in monocycles Monaco G, Zanasi R |
253 - 259 |
Excitation energies and potential energy curves for the 19 excited electronic terms of CH+: Efficiency examination of the multireference first-order polarization propagator approximation Seleznev AO, Khrustov VF, Stepanov NF |
260 - 266 |
Calculation of the 4f(1) -> 4f(0)5d(1) transitions in Ce3+-doped systems by Ligand Field Density Functional Theory Ramanantoanina H, Urland W, Garcia-Fuente A, Cimpoesu F, Daul C |
267 - 271 |
Meandering spiral waves in a bubble-free Belousov-Zhabotinsky reaction with pyrogallol Luengviriya J, Porjai P, Phantu M, Sutthiopad M, Tomapatanaget B, Muller SC, Luengviriya C |