1 - 8 |
Specific ion interactions with aromatic rings in aqueous solutions: Comparison of molecular dynamics simulations with a thermodynamic solute partitioning model and Raman spectroscopy Vincent JC, Matt SM, Rankin BM, D'Auria R, Freites JA, Ben-Amotz D, Tobias DJ |
9 - 14 |
Ab initio molecular dynamics simulation of aqueous solution of nitric oxide in different formal oxidation states Venancio MF, Rocha WR |
15 - 20 |
Kinetics of the reactions of Cl atoms with CF3C(O)OCH3, CF3C(O)OCH2CH3, CF2HC(O)OCH3 in the temperature range of 287-313 K and 1 atm Blanco MB, Barnes I, Wiesen P, Teruel MA |
21 - 24 |
A comparative study of molecular hydroxides of element 113 (I) and its possible analogs: Ab initio electronic structure calculations Demidov Y, Zaitseyskii A |
25 - 30 |
Solar water splitting with earth-abundant materials using amorphous silicon photocathodes and Al/Ni contacts as hydrogen evolution catalyst Urbain F, Smirnov V, Becker JP, Rau U, Ziegler J, Yang F, Kaiser B, Jaegermann W, Hoch S, Blug M, Finger F |
31 - 37 |
Femtosecond dynamics of photoinduced cis-trans isomerization of ethyl-3-(1H-indole-3-yl)acrylate Sengupta B, Mukherjee P, Das S, Rafiq S, Gupta S, Dethe DH, Sen P |
38 - 42 |
A sandwich-structured porous MnO2/polyaniline/MnO2 thin film for supercapacitor applications Sun DM, Wang Z, Huang K, Wang XD, Wang H, Qing C, Wang BX, Tang YW |
43 - 46 |
Amorphous TiO2-coated reduced graphene oxide hybrid nanostructures for polymer composites with low dielectric loss Tong WS, Zhang YH, Yu L, Lv FZ, Liu LP, Zhang Q, An Q |
47 - 51 |
Nitrogen-tuned transition metal Co adatom embedded graphene Sun J, Qian J, Zhai M, Liu F, Qi C, Shi XZ, Wang GF, Xiong R, Ye SL |
52 - 55 |
Synthesis of NiCoP hollow spheres and its electrochemical property Liu SL, Ma CL, Ma LB, Zhang HZ |
56 - 60 |
Probing environmentally significant surface radicals: Crystallographic and temperature dependent adsorption of phenol on ZnO Thibodeaux CA, Poliakoff ED, Kizilkaya O, Patterson MC, DiTusa MF, Kurtz RL, Sprunger PT |
61 - 65 |
Quantum dynamics study of the X + O-2 reactions on the CHIPR potential energy surface: X = Mu, H, D, T Teixidor MM, Varandas AJC |
66 - 71 |
The first ab initio potential energy surface and predicted infrared spectra for Xe-N2O in the v(3) stretching region of N2O Wang ZQ, Feng EY, Zhang CZ, Sun CY |
72 - 77 |
TD-DFT study on electron transfer mobility and intramolecular hydrogen bond of substituted indigo derivatives Ma C, Li H, Yang YG, Li DL, Liu YF |
78 - 81 |
Polarisation labelling spectroscopy of the 5(1)Pi state in KCs molecule Szczepkowski J |
82 - 86 |
On the Raman and infrared vibrational spectra of the epsilon and zeta phases of oxygen. Systematic DFT studies with localized basis sets Ochoa-Calle AJ, Zicovich-Wilson CM, Ramirez-Solis A |
87 - 93 |
Thin film transistors based on poly(3-hexylthiophene)/[6,6]-phenyl C-61 butyric acid methyl ester hetero-junction for ammonia detection Chen YY, Xie GZ, Xie T, Liu YN, Du HF, Su YJ, Jiang YD |
94 - 98 |
Enhancing the thermopower and tuning the resistivity in Bi2Se3 with Fe-doping Rejaul SK, Shirolkar MM, Dhara B, Kulkarni S, Deshpande A |
99 - 102 |
[As@Ni-12@As-20](3-) and [Sn@Cu-12@Sn-20](12-) clusters. Related structures with different construction philosophy Carey DM, Morales-Verdejo C, Munoz-Castro A |
103 - 107 |
Resistive switching memory characteristics of single MoSe2 nanorods Yan YM, Sun B, Ma DJ |
108 - 115 |
On the Q-dependence of the lowest-order QED corrections and other properties of the ground 11S-states in the two-electron ions Frolov AM |
116 - 121 |
Isoflurane does not aggregate inside POPC bilayers at high pressure: Implications for pressure reversal of general anaesthesia Wieteska JR, Welche PRL, Tu KM, ElGamacy M, Csanyi G, Payne MC, Chaue PL |
122 - 127 |
Pnicogen-pnicogen interactions in O2XP:PH2Y complexes (X= H, F, CN; Y= H, OH, OCH3, CH3, NH2) Esrafili MD, Mohammadian-Sabet F |
128 - 132 |
Thulium(III) and ytterbium(III) in aqueous solution ab initio quantum mechanical charge field molecular dynamics studies Passler PP, Rode BM |
133 - 136 |
Exact solution of time-dependent Schrodinger equation for two state problem in Laplace domain Diwaker, Chakraborty A |
137 - 143 |
Coarse grained simulation reveals antifreeze properties of hyperactive antifreeze protein from Antarctic bacterium Colwellia sp. Nguyen H, Van TD, Le L |
144 - 148 |
Terahertz VRT spectrometer employing quantum cascade lasers Cole WTS, Hlavacek NC, Lee AWM, Kao TY, Hu Q, Reno JL, Saykally RJ |
149 - 152 |
Vibrational relaxation of (CO2)-C-13(v(2)) by atomic oxygen Cecchini MR, Castle KJ |
153 - 160 |
Homogeneous gas-phase formation of polychlorinated naphthalene from dimerization of 4-chlorophenoxy radicals and cross-condensation of phenoxy radical with 4-chlorophenoxy radical: Mechanism and kinetics study Xu F, Zhang RM, Li YF, Zhang QZ |
161 - 167 |
Electronic and photonic behavior of (Fe or Co)-C codoped TiO2 mediated by H ions: First principles calculations Zhao YF, Li C, Gong YY, Niu LY, Liu XJ, Chi BQ |
168 - 172 |
Ferroelectric and piezoelectric properties of Ba(Ti0.89Sn0.11)O-3 thin films prepared by sol-gel method Zhu ZW, Guo XL, Wang ZM, Yuan GL, Wang YP, Cai ZL, Chen LF, Chen J, Zhang Y, Liu ZG |
173 - 178 |
Molecular photoelectron momentum distributions by intense orthogonally polarized attosecond ultraviolet laser pulses Yuan KJ, Chelkowski S, Bandrauk AD |
179 - 186 |
Utilizing fluoroxyl groups as ligands in superhalogen anions: An ab initio study of the M(OF)(k+1)(-) systems (M = Li, Na, K, Be, Mg, Ca, B, Al) Sikorska C |
187 - 190 |
Patterning germanene into superlattices: An efficient method for tuning conducting properties Li SJ, Su Y, Chen G |
191 - 195 |
Spectroscopic and structural analysis of mixed carbon dioxide and fluorinated methane clusters Hanson-Heine MWD, Besley NA |
196 - 200 |
The up-converted photoluminescence and cell imaging of water-soluble carbon dots Sheng YZ, Wei JM, Pan JQ, Huang P, Guo SK, Zhang JX, Zhang X, Feng BX |
201 - 204 |
The threshold photoelectron spectrum of cyanovinylacetylene leads to an upward revision of the ionization energy Holzmeier F, Lang M, Fischer I, Hemberger P |
205 - 209 |
Protective effect of ascorbic acid against double-strand breaks in giant DNA: Marked differences among the damage induced by photo-irradiation, gamma-rays and ultrasound Ma Y, Ogawa N, Yoshikawa Y, Mori T, Imanaka T, Watanabe Y, Yoshikawa K |
210 - 215 |
Bond relaxation in length and energy of Li atomic clusters Bo ML, Wang Y, Liu YH, Li C, Huang YL, Sun CQ |
216 - 226 |
Electronic structure with vibration-rotation study of the NaYb molecule Tohme SN, Korek M |
227 - 232 |
Enhancement of the NH2 + NO -> OH + H + N-2 reaction by vibrational excitation of NH2 Kohno N, Watanabe A, Ishibe M, Kobayashi H, Kohguchi H, Yamasaki K |
233 - 236 |
Specific features of the extra strong intermolecular hydrogen bonds in crystals: Insights from the theoretical charge density analysis Vener MV, Levina EO, Astakhov AA, Tsirelson VG |
237 - 243 |
Spectroscopic study of jet-cooled indole-3-carbinol by laser desorption technique: Franck-Condon simulations and anharmonic calculations Ahn A, Min A, Moon CJ, Lee JH, Lee SJ, Warashina T, Ishiuchi S, Fujii M, Choi MY |
244 - 248 |
Mixing of the D0(u)(+) and delta 2u ion-pair states of iodine molecule Baturo VV, Lukashov SS, Poretsky SA, Pravilov AM, Vasyutinskii OS |
249 - 252 |
Comparison of xenon and radon metal halides Lovallo CC, Klobukowski M |
253 - 257 |
Optical properties and surface-enhanced Raman scattering activity of hexagonally arranged gold nanoparticle trimers Uchida T, Ichikawa Y, Imura K |