1 - 9 |
Surveying a complex potential energy landscape: Overcoming broken ergodicity using basin-sampling Wales DJ |
10 - 13 |
Parallel low-memory quasi-Newton optimization algorithm for molecular structure Klemsa J, Rezac J |
14 - 17 |
Femtosecond time-resolved laser desorption/ionization mass spectrometry of perylene crystals using Raman-induced vibrational excitation Minegishi Y, Matsumoto J, Shiromaru H, Hashimoto K, Fujino T |
18 - 23 |
Shock tube measurements of the rate constant for the reaction cyclohexene -> ethylene+1,3-butadiene Stranic I, Davidson DF, Hanson RK |
24 - 29 |
The cage fragmentation of doubly ionized norbornane: A Born-Oppenheimer molecular dynamics study Knippenberg S, Hajgato B |
30 - 36 |
Hydrogen release from systems containing phosphine, borane, alane and galane: A mechanistic study Nguyen VS, Majumdar D, Leszczynski J, Nguyen MT |
37 - 42 |
Spectroscopic identification of isomeric jet-cooled benzyl-type radicals formed from 3-fluoro-o-xylene by corona discharge Yoon YW, Chae SY, Lee SK |
43 - 48 |
Hydrogen bonding interaction between HO2 radical and selected organic acids, RCOOH (R = CH3, H, Cl and F) Joshi R, Ghanty TK |
49 - 52 |
Potential energy function for HeS+ and transport properties of S+ in He Jalili AH, Behnejad H, Afsahi G, Gharibi M, Viehland LA |
53 - 57 |
Spectroscopic study on the (B)over-tilde(2)A'' - (X)over-tilde(2)A'' transition of the trans-2-methylvinoxy radical Kawachi R, Nakajima M, Endo Y |
58 - 62 |
Comparative assessment of density functionals for excited-state dipole moments Bednarska J, Roztoczynska A, Bartkowiak W, Zalesny R |
63 - 66 |
Vibronically induced activation mechanism in photocatalysis of highly dispersed vanadium oxide supported on silica, V2O5/SiO2: Evidence in phosphorescence spectra Iwahara N, Sato T, Tanaka K, Tanaka T |
67 - 73 |
Folding dynamics of flavin adenine dinucleotide (FAD) inside non-aqueous and aqueous reverse micelles Sengupta A, Gavvala K, Koninti RK, Chaudhuri H, Hazra P |
74 - 78 |
Raman study of 2,7-bis(biphenyl-4-yl-)2',7'-ditertbutyl-9,9'-spirobifluorene adsorbed on oxide surfaces Stahler J, Hofmann OT, Rinke P, Blumstengel S, Henneberger F, Li YL, Heinz TF |
79 - 82 |
Thermal phase behavior of 1-butyl-3-methylimidazolium hexafluorophosphate: Simultaneous measurements of the melting of two polymorphic crystals by Raman spectroscopy and calorimetry Endo T, Nishikawa K |
83 - 87 |
Polymorphs of 1,1-diamino-2,2-dinitroethene (FOX-7): Isothermal compression versus isobaric heating Dreger ZA, Tao Y, Gupta YM |
88 - 92 |
Molecular probe dynamics and free volume in glass-formers: 1,2- and 1,4-poly(butadiene)s Bartos J, Svajdlenkova H, Yu Y, Dlubek G, Krause-Rehberg R |
93 - 97 |
Observation of equilibrium liquid-liquid transition in triphenyl phosphite Terashima Y, Tsuchie M, Takeda K, Honda M |
98 - 102 |
Adsorption and dissociation of methanol on defective rutile TiO2 (110) surface with bridging oxygen-vacancy pairs Shi H, Liu YC, Miao M, Wu T, Wang Q |
103 - 107 |
Theoretical study on the ionization of aniline in aqueous solutions Matsumura Y, Iida K, Sato H |
108 - 112 |
Chair like NiAu6: Clusters assemblies and CO oxidation study by ab initio methods Nigam S, Sahoo SK, Sarkar P, Majumder C |
113 - 118 |
Visualization of conduction pathways in lithium superionic conductors: Li2S-P2S5 glasses and Li7P3S11 glass-ceramic Mori K, Ichida T, Iwase K, Otomo T, Kohara S, Arai H, Uchimoto Y, Ogumi Z, Onodera Y, Fukunaga T |
119 - 123 |
A phenothiazine-diketopyrrolopyrrole polymer: Synthesis and photovoltaic applications Jang W, Lyu F, Park H, Meng QB, Lee SH, Lee YS |
124 - 129 |
Hybrid graphene electrodes for supercapacitors of high energy density Zhang FF, Tang J, Shinya N, Qin LC |
130 - 134 |
Organic bulk heterojunction photovoltaic devices incorporating 2D arrays of cuboidal silver nanoparticles: Enhanced performance Leonard K, Takahashi Y, You J, Yonemura H, Kurawaki J, Yamada S |
135 - 141 |
Effects of surface dopants on graphene folding by molecular simulations Becton M, Zhang LY, Wang XQ |
142 - 146 |
CVD synthesis of mono- and few-layer graphene using alcohols at low hydrogen concentration and atmospheric pressure Campos-Delgado J, Botello-Mendez AR, Algara-Siller G, Hackens B, Pardoen T, Kaiser U, Dresselhaus MS, Charlier JC, Raskin JP |
147 - 154 |
Heats of formation and thermochemical parameters of small silicon clusters and their ions, Si-n(+/0/-) with n=2-13 Tam NM, Nguyen MT |
155 - 158 |
Wet chemical growth of ultra-long ZnO nanoplates and their optical property Samanta PK, Datta S, Basak S, Kamilya T |
159 - 164 |
Enhanced thermoelectric properties and layered structure of Sb2Te3 films induced by special (0 0 l) crystal plane Tan M, Deng Y, Hao YM |
165 - 171 |
Fluorescent recognition of Fe3+ ion with photoinduced electron transfer (PET) sensor Fegade U, Attarde S, Kuwar A |
172 - 176 |
Fe+3 ion induced protein gelation: Small-angle neutron scattering study Kundu S, Chinchalikar AJ, Das K, Aswal VK, Kohlbrecher J |
177 - 181 |
The structural and electronic properties of (10,0) zigzag Single-Wall Carbon Nanotubes modified by thiophene groups Hamadanian M, Tavangar Z, Naseh S |
182 - 187 |
On spectral quadrature for linear-scaling Density Functional Theory Suryanarayana P |
188 - 194 |
Development of non-standard arginine residue parameters for use with the AMBER force fields Wu M, Strid A, Eriksson LA |
195 - 199 |
The isothermal oscillations and fluctuation-driven oscillations of N2O decomposition over Cu-ZSM-5 zeolites Liu FL, Li YP, Sun XM |
200 - 200 |
Thermodynamic and kinetic competition in silver dendrite growth (vol 439, pg 204, 2007) Fang JX |