145 - 156 |
Electrons on dielectrics and contact electrification Liu CY, Bard AJ |
157 - 160 |
Electronic structures and properties of MAu and MOH, where M = Tl and element 113 Pershina V, Anton J, Jacob T |
161 - 167 |
Theoretical studies on the kinetics and thermochemistry of the gas-phase addition and H-abstraction reactions of 4-picoline with OH radical Devi KJ, Parveen S, Chandra AK |
168 - 172 |
On the origin of the asymmetric shape of the HCl photodissociation cross section Schmidt JA, Johnson MS, Grage MML, Nyman G |
173 - 177 |
Car-Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bond in the novel class of anionic H-chelates: 6-Nitro-2,3-dipyrrol-2-ylquinoxaline anion Durlak P, Latajka Z |
178 - 184 |
Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes Smiechowski M |
185 - 188 |
Parts-per-billion level chlorine sensors with fast kinetics using ultrathin cobalt phthalocyanine films Debnath AK, Samanta S, Singh A, Aswal DK, Gupta SK, Yakhmi JV |
189 - 192 |
Electron delocalization in a non-cyclic all-metal III-V cluster Gupta U, Reveles JU, Melko JJ, Khanna SN, Castleman AW |
193 - 197 |
Efficient enhancement of field-free molecular orientation by combining terahertz few-cycle pulses and rovibrational pre-excitation Hu WH, Shu CC, Han YC, Yuan KJ, Cong SL |
198 - 202 |
Super-superexchange coupling through a hydrogen bond in a linear copper(II) complex, [Cu(LH)(L)]center dot BF4 center dot 2H(2)O (LH = N-tert-butyl-N-2-pyridylhydroxylamine) Okazawa A, Ishida T |
203 - 209 |
First-principles determination of the ground-state structure of Mg(BH4)(2) Caputo R, Tekin A, Sikora W, Zuttel A |
210 - 214 |
An ad hoc tight binding method to study the electronic structure of semiconducting polymers McMahon DP, Troisi A |
215 - 219 |
Hydrogenation of ultrasmall carbon nanotubes: A first principle study Scipioni R, Boero M, Ohno T |
220 - 224 |
Self-assembly formation of palm-based esters nano-emulsion: A molecular dynamics study Rahman MBA, Huan QY, Tejo BA, Basri M, Salleh A, Rahman RNZA |
225 - 230 |
Molecular hydrogen encapsulation in spherophanes Saal A, Jarrosson T, Ouamerali O, Daul CA |
231 - 236 |
Metal hexacyanochromate coordination nanopolymers: Surface ligand effect on their magnetism Yamada M, Kawamoto T |
237 - 242 |
Luminescence, lifetime and quantum yield studies of YVO4:Ln(3+) (Ln(3+) = Dy3+, Eu3+) nanoparticles: Concentration and annealing effects Singh NS, Ningthoujam RS, Luwang MN, Singh SD, Vatsa RK |
243 - 246 |
The 2p(3/2) binding energy shift of Fe surface and Fe nanoparticles Wang Y, Wang LL, Sun CQ |
247 - 252 |
Freezing of water adsorbed on hydrophobic and activated soot particles Demirdjian B, Ferry D, Suzanne J, Popovicheva OB, Persiantseva NM, Kamaev AV, Shonija NK, Zubareva NA |
253 - 257 |
Multiwalled carbon nanotubes/ZnO nanowires composite structure with enhanced ultraviolet emission and faster ultraviolet response Dutta M, Basak D |
258 - 264 |
Structural, electronic, and magnetic properties of a series of aluminum clusters doped with various transition metals Wang M, Huang XW, Du ZL, Li YC |
265 - 268 |
Photo-induced charge transfer in defect-free (TiO2)(15) nanoparticles and charge transfer from carotenoid to (TiO2)(15b) nanoparticle in carotenoid-(TiO2)(15b) complex used for solar cell Yang ZL, Li Y, Li YZ, Chen MD, Kang JY, Gu LY, Ma FC |
269 - 272 |
Interaction of nucleic acid bases with single-walled carbon nanotube Shukla MK, Dubey M, Zakar E, Namburu R, Czyznikowska Z, Leszczynski J |
273 - 277 |
CdXO3 (X = C, Si, Ge, Sn, Pb) electronic band structures Barboza CA, Henriques JM, Albuquerque EL, Caetano EWS, Freire VN, da Costa JAP |
278 - 283 |
Third-order nonlinear optical properties of trigonal, rhombic and bow-tie graphene nanoflakes with strong structural dependence of diradical character Yoneda K, Nakano M, Kishi R, Takahashi H, Shimizu A, Kubo T, Kamada K, Ohta K, Champagne B, Botek E |
284 - 288 |
A two-dimensional energy surface of the phosphoryl transfer reaction catalyzed by phosphoserine phosphatase Re S, Jung J, Ten-no S, Sugita Y |
289 - 295 |
Energies and excited-state dynamics of 1B(u)(+), 1B(u)(-) and 3A(g)(-) states of carotenoids bound to LH2 antenna complexes from purple photosynthetic bacteria Christiana R, Miki T, Kakitani Y, Aoyagi S, Koyama Y, Limantara L |
296 - 299 |
Metal-enhanced ethidium bromide emission: Application to dsDNA detection Dragan AI, Bishop ES, Strouse RJ, Casas-Finet JR, Schenerman MA, Geddes CD |
300 - 304 |
Morphology and side-chain dynamics in hydrated hard alpha-keratin fibres by H-1 solid-state NMR Melian C, Demco DE, Istrate M, Balaceanu A, Moldovan D, Fechete R, Popescu C, Moller M |
305 - 308 |
Colchicine-protein interactions revealed by transient absorption spectroscopy after in situ photoisomerization to lumicolchicines Bartovsky P, Tormos R, Miranda MA |
309 - 312 |
Spectral and electrochemical detection of protonated triplex formation by a small-molecule anticancer agent Feng LY, Li X, Peng YH, Geng J, Ren JS, Qu XG |
313 - 317 |
Introducing temperature dependence in an enhanced Poisson-Boltzmann approach Hofinger S, Zerbetto F |
318 - 321 |
Chargephilicity and chargephobicity: Two new reactivity indicators for external potential changes from density functional reactivity theory Ayers PW, Liu SB, Li TL |
322 - 326 |
Chaotic dynamics in an unstirred ferroin catalyzed Belousov-Zhabotinsky reaction Rossi F, Budroni MA, Marchettini N, Cutietta L, Rustici M, Liveri MLT |
327 - 329 |
Some comments on the DFT plus D method Snook IK, Per MC, Seyed-Razavi A, Russo SP |