105 - 115 |
Free energy surfaces from an extended harmonic superposition approach and kinetics for alanine dipeptide Strodel B, Wales DJ |
116 - 121 |
Hydrogenation of aluminium hexamer: Ab initio molecular orbital theory and density functional theory study Moc J |
122 - 126 |
Van der Waals potential energy surface of CH2ClF center dot center dot center dot Xe Ottaviani P, Pesci FM, Favero LB, Velino B, Caminati W |
127 - 130 |
Computational study of the stability of alpha-nitroxy-substituted alkyl radicals Vereecken L |
131 - 135 |
Unoccupied orbital energies of 1,4-benzenedithiol and the HOMO-LUMO gap Scheer AM, Gallup GA, Burrow PD |
136 - 140 |
Complexes pairing aliphatic amines with hydroxyl and hydroperoxyl radicals: A computational study Solimannejad M, Nielsen CJ, Scheiner S |
141 - 143 |
Evidence for occurrence of the intramolecular CHO group rotation in the excited state for 3-pyridinecarboxaldehyde vapor Itoh T |
144 - 147 |
The trans/gauche conformational equilibrium and associated thermodynamic parameters of liquid 1,2-dibromoethane as studied by infrared electroabsorption spectroscopy Lee IC, Hamaguchi HO, Shigeto S |
148 - 151 |
CO2 entrapment in natural ultramarine blue Miliani C, Daveri A, Brunetti BG, Sgamellotti A |
152 - 154 |
Vitrification of emulsified dilute aqueous sucrose solutions at high pressures Kanno H, Miyata K, Hayakawa S, Kajiwara K |
155 - 158 |
Magnetic properties of ErSc2N@C-80, Er2ScN@C-80 and Er3N@C-80 fullerenes Tiwari A, Dantelle G, Porfyrakis K, Watt AAR, Ardavan A, Briggs GAD |
159 - 164 |
An atomistic view of structural and electronic properties of rare earth ensembles on Si(001) substrates Shinde A, Cao JX, Lee SY, Wu RQ, Ragan R |
165 - 169 |
Microstructure and temperature-dependent magnetic properties of Co/Pt multilayered nanowires Liu LF, Zhou WY, Xie SS, Albrecht O, Nielsch K |
170 - 175 |
Quantum Monte Carlo study of the cooperative binding of NO2 to fragment models of carbon nanotubes Lawson JW, Bauschlicher CW, Toulouse J, Filippi C, Umrigar CJ |
176 - 180 |
Defect-induced photoluminescence and third-order nonlinear optical response of chemically synthesized chalcopyrite CuInS2 nanoparticles Hamanaka Y, Kuzuya T, Sofue T, Kino T, Ito K, Sumiyama K |
181 - 185 |
Tuning of single to multi-domain behavior for monodispersed ferromagnetic cobalt nanoparticles Gajbhiye NS, Sharma S, Nigam AK, Ningthoujam RS |
186 - 188 |
A method to assess modifications of fluorophore radiative rate by plasmonic structures Xie F, Drozdowicz-Tomsia K, Goldys EM |
189 - 196 |
Photoinduced charge transfer in fullerene-donor dyads: A theoretical study Petsalakis ID, Theodorakopoulos G |
197 - 204 |
Ab initio study of the hydrogen chemisorption of single-walled aluminum nitride nanotubes Lim SH, Lin JY |
205 - 208 |
High-pressure effects on boron nitride multi-walled nanotubes: An X-ray diffraction study Muthu DVS, Midgley AE, Petruska EA, Sood AK, Bando Y, Golberg D, Kruger MB |
209 - 213 |
Design criteria for optimal photosynthetic energy conversion Fingerhut BP, Zinth W, de Vivie-Riedle R |
214 - 218 |
The conformational landscape of p-methoxyphenylethylamine from molecular beam Fourier transform microwave spectroscopy Cortijo V, Alonso JL, Lopez JC |
219 - 222 |
Theoretical and experimental investigation of the H-1 NMR spectrum of putrescine Allouche AR, Graveron-Demilly D, Fauvelle F, Aubert-Frecon M |
223 - 226 |
Triggering the proton transfer by H-bond network Macernis M, Kietis BP, Sulskus J, Lin SH, Hayashi M, Valkunas L |
227 - 234 |
Application of static microcoils and WURST pulses for solid-state ultra-wideline NMR spectroscopy of quadrupolar nuclei Tang JA, O'Dell LA, Aguiar PM, Lucier BEG, Sakellariou D, Schurko RW |
235 - 239 |
New infrared reflection absorption spectroscopy (IRRAS) system for observation of solid-solution interface biomaterials Abu Sayed M, Uno H, Harada K, Tanaka K, Kim YH, Nakaoki Y, Okumura K, Tero R, Urisu T |
240 - 246 |
Wavefunction quality and error estimation of single- and multi-reference coupled-cluster and CI methods: The H-4 model system Hanrath M |
247 - 251 |
Efficient heteronuclear decoupling by quenching rotary resonance in solid-state NMR Weingarth M, Tekely P, Bodenhausen G |
252 - 254 |
Anomalous short-time self-orientational diffusion in multipolar colloids Alarcon-Waess O |