185 - 195 |
Probing the electronic structure of early transition metal oxide clusters: Molecular models towards mechanistic insights into oxide surfaces and catalysis Zhai HJ, Wang LS |
196 - 201 |
Resilient aromaticity in lead-indium clusters Melko JJ, Ong SV, Gupta U, Reveles JU, D'Emidio J, Khanna SN, Castleman AW |
202 - 206 |
Potential energy surfaces of the first three singlet states of CH3Cl Granucci G, Medders G, Velasco AM |
207 - 210 |
On the formation of S2O at low energies: An ab initio study Navizet I, Komiha N, Linguerri R, Chambaud G, Rosmus P |
211 - 216 |
The IP vs. VDE competition as a key factor determining the stability of the MgBX5 (X = F, Cl) compounds Sikorska C, Skurski P |
217 - 222 |
Zero-point energy constrained quasiclassical, classical, and exact quantum simulations of isomerizations and radial distribution functions of the water trimer using an ab initio potential energy surface Czako G, Kaledin AL, Bowman JM |
223 - 228 |
Oxygen atom kinetics in silane-hydrogen-nitrous oxide mixtures behind reflected shock waves Javoy S, Mevel R, Dupre G |
229 - 231 |
Lower vibrational transitions of the (HeHe+)-He-3-He-4 ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections Bubin S, Stanke M, Adamowicz L |
232 - 236 |
Photoionization of two substituted methyl radicals: Cyanomethyl and bromomethyl Steinbauer M, Hemberger P, Fischer I, Johnson M, Bodi A |
237 - 241 |
Calculations suggest a new preparation route to ammonium hydrotriborate salt for use in hydrogen storage Nguyen VS, Swinnen S, Nguyen MT |
242 - 250 |
Laser breakdown in alcohols and water induced by lambda=1064 nm nanosecond pulses Kovalchuk T, Toker G, Bulatov V, Schechter I |
251 - 255 |
Structure and dynamics of hydrated Ag+: An ab initio quantum mechanical/charge field simulation Blauth CM, Pribil AB, Randolf BR, Rode BM, Hofer TS |
256 - 262 |
Effect of bath temperature on the quantum decoherence Huang PH, Zheng H |
263 - 266 |
Preferred dissociative mechanism of phosphate monoester hydrolysis in low dielectric environments Yamamoto T |
267 - 271 |
Switchable structural modification accompanying altered optical properties of a zwitterionic polysquaraine Lu HC, Whang WT, Cheng BM |
272 - 276 |
Hydrogen bonds and O center dot center dot center dot O interactions in proton-ordered ices. DFT computations with periodic boundary conditions Vener MV, Egorova AN, Tsirelson VG |
277 - 282 |
Disentangling SERS signals from two molecular species: A new evidence for the production of p,p'-dimercaptoazobenzene by catalytic coupling reaction of p-aminothiophenol on metallic nanostructures Canpean V, Iosin M, Astilean S |
283 - 286 |
On the performance of van der Waals corrected-density functional theory in describing the atomic hydrogen physisorption on graphite Ferullo RM, Domancich NF, Castellani NJ |
287 - 290 |
Novel insight into the alignment and structural ordering of supported ZnO nanorods Barreca D, Bekermann D, Devi A, Fischer RA, Gasparotto A, Maccato C, Tondello E, Rossi M, Orlanducci S, Terranova ML |
291 - 294 |
Desorption of H atoms from graphite (0001) using XUV free electron laser pulses Siemer B, Olsen T, Hoger T, Rutkowski M, Thewes C, Dusterer S, Schiotz J, Zacharias H |
295 - 301 |
Sodium dodecyl benzene sulphonate mediated tautomerism of Eriochrome Black-T: Effect of charge transfer interaction Ghosh S |
302 - 308 |
Theoretical study of geometric and electronic structures, and anion PES of the AlnCsm- (n=5-11; m=1-3) clusters Shimada H, Matsuzawa H |
309 - 312 |
Transient absorption spectra of nanocrystalline TiO2 films at high excitation density Katoh R, Murai M, Furube A |
313 - 317 |
The influence of amino acids on DNA damage induced by cold plasma radiation Stypczynska A, Ptasinska S, Bahnev B, Bowden M, Braithwaite NS, Mason NJ |
318 - 322 |
Fis-protein induces rod-like DNA bending Fu CC, Lin CF, Gao QZ, Yang WZ, Lim TS, Yang LL, Yen CF, Chang WH, Yuan HS, Sheu SY, Yang DY, Fann W |
323 - 326 |
Terbium chelate as donor label in time-resolved fluorescence energy transfer study of DNA hybridization Han CL, Chen TT, Zu LL |
327 - 333 |
Solvent effects on blue shifted improper hydrogen bond of C- H center dot center dot center dot O in deoxycytidine isomers Selvam L, Chen FF, Wang F |
334 - 341 |
Visualization of enantiomers and determination of homo- and hetero-nuclear residual dipolar and scalar couplings: The natural abundant C-13 edited J/D-resolved NMR techniques Prabhu UR, Chaudhari SR, Suryaprakash N |
342 - 346 |
Trajectory approach to quantum wave packet dynamics: The correlated derivative propagation method Chou CC, Wyatt RE |
347 - 354 |
Phase solubility, H-1 NMR and molecular modelling studies of bupivacaine hydrochloride complexation with different cyclodextrin derivates Jug M, Mennini N, Melani F, Maestrelli F, Mura P |
355 - 355 |
Room-temperature ferromagnetism of vanadium-doped 6H-SiC (vol 496, pg 56, 2010) Lin SH, Chen ZM, Liang P, Jiang D, Xie HJ |