387 - 400 |
High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs Tokushima T, Harada Y, Takahashi O, Senba Y, Ohashi H, Pettersson LGM, Nilsson A, Shin S |
401 - 405 |
Kinetics of the CCl2+Br-2 and CCl2+NO2 reactions in the temperature range 266-365 K and reactivity of the CCl2 biradical Eskola AJ, Golonka I, Rissanen MP, Timonen RS |
406 - 410 |
Interaction of positively and negatively charged aromatic hydrocarbons with benzene and triphenylene: Towards a model of pure organic insulators Quinonero D, Frontera A, Deya PM, Alkorta I, Elguero J |
411 - 416 |
Excited states of the CaAl molecule: An MRCI study Ribas VW, Roberto-Neto O, Ornellas FR, Machado FBC |
417 - 422 |
Symmetry assignment in the distributed Gaussian functions method to study homonuclear rotating trimers Marquez-Mijares M, Gonzalez-Lezana T, Roncero O, Miret-Artes S, Delgado-Barrio G, Villarreal P |
423 - 431 |
Ab initio simulations of sulfuric acid solutions Hammerich AD, Buch V, Mohamed F |
432 - 437 |
Structural variations and hydrogen storage properties of Ca5Si3 with Cr5B3-type structure Wu H, Zhou W, Udovic TJ, Rush JJ, Yildirim T |
438 - 441 |
Electronic structure and molecular properties of the [Mo6X8L6](2-); X = Cl, Br, I; L = F, Cl, Br, I clusters Ramirez-Tagle R, Arratia-Perez R |
442 - 446 |
Effect of pressure and temperature on structural stability of potential hydrogen storage compound Li3AlH6 Kumar RS, Ke X, Cornelius AL, Chen CF |
447 - 450 |
Vibronic transitions between states with hard and soft phonon dynamics Hizhnyakov V, Benedek G |
451 - 456 |
Nucleophilic and electrophilic radical attack on maleic and fumaric acids in aqueous solution Wojnarovits L, Takacs E, Emmi SS |
457 - 460 |
CI study of CO adsorption on MgO(100) Qin CY |
461 - 465 |
Scavenging of e(s)(-) and OH center dot radicals in concentrated HCl and NaCl aqueous solutions Atinault E, De Waele V, Schmidhammer U, Fattahi M, Mostafavi M |
466 - 469 |
Electronic properties of liquid water by sequential molecular dynamics/density functional theory Millot C, Cabral BJC |
470 - 473 |
On the superhydrophobicity of tetrafluoromethane Graziano G |
474 - 477 |
Synthesis of a [3.3] biphenylophane, and its photophysical and photochemical properties studied by emission and transient absorption measurements Yamaji M, Tsukada T, Shizuka H, Nishimura J |
478 - 481 |
Photoactivation mechanism of orthovanadate-like (V = O)O-3 species Teramura K, Hosokawa T, Ohuchi T, Shishido T, Tanaka T |
482 - 485 |
Temperature dependence of photo-charge generation of polymeric photorefractive composite in the glass transition temperature region Oh JW, Kim N |
486 - 491 |
Theoretical characterization of thioepoxidated single wall carbon nanotubes Denis PA, Faccio R |
492 - 494 |
Fractal approach to the CO oxidation on silica porous materials Trypolskyi AI, Gurnyk TM, Strizhak PE |
495 - 498 |
Detection of unusual Delta HOMO < Delta LUMO relationship in tetrapyrrolic cis- and trans-doubly N-confused porphyrins Muranaka A, Homma S, Maeda H, Furuta H, Kobayashi N |
499 - 502 |
Unoccupied electronic states in graphite oxides Jeong HK, Colakerol L, Jin MH, Glans PA, Smith KE, Lee YH |
503 - 506 |
Time resolved fluorescence of naproxen in organogel medium Burguete MI, Izquierdo MA, Galindo F, Luis SV |
507 - 511 |
Mesoscopic simulation of metastable microphases in the order-order transition from gyroid-to-lamellar states of PS-PI diblock copolymer Soto-Figueroa C, Rodriguez-Hidalgo MDR, Martinez-Magadan JM, Luis-Vicente |
512 - 516 |
Molecular dynamic simulations of carbon nanotubes in CO2 atmosphere Alexiadis A, Kassinos S |
517 - 520 |
The structure of multilayered titania nanotubes based on delaminated anatase Mogilevsky G, Chen Q, Kleinhammes A, Wu Y |
521 - 524 |
Indomethacin: A NSAID sensitive to micro heterogeneity in alcohol-water mixtures Ghatak A, Mandal PC, Sarkar M |
525 - 530 |
Probing the accuracy of the isomerization energy of the 3-D morphed potential of Ar-HBr Willaert FF, McElmurry BA, Lucchese RR, Bevan JW |
531 - 535 |
Simultaneous adiabatic spin-locking cross polarization in solid-state NMR of paramagnetic complexes Peng WK, Samoson A, Kitagawa M |
536 - 539 |
Increasing physical constraints and improving performances in a parameter-free GGA functional Tognetti V, Cortona P, Adamo C |
540 - 542 |
An electronic signature of hydrolysation in the X-ray absorption spectrum of aqueous formaldehyde Ottosson N, Aziz EF, Bradeanu IL, Legendre S, Ohrwall G, Svensson S, Bjorneholm O, Eberhardt W |
543 - 547 |
Synthesis and photophysical properties of poly-(phenylenevinylene) dendrimers with a ruthenium tris-bipyridine core Houjeiry TI, Ghaddar TH |
548 - 551 |
Ultraviolet electroluminescence from n-ZnO : Ga/p-ZnO : N homojunction device on sapphire substrate with p-type ZnO : N layer formed by annealing in N2O plasma ambient Sun JC, Liang HW, Zhao JZ, Bian JM, Feng QJ, Hu LZ, Zhang HQ, Liang XP, Luo YM, Du GT |
552 - 558 |
Charge transfer interactions and nonlinear optical properties of push-pull chromophore benzaldehyde phenylhydrazone: A vibrational approach Ravikumar C, Joe IH, Jayakumar VS |
559 - 562 |
The protocovalent N-O bond: Quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid H-O-N=O and its relevancy to the experiment Berski S, Mierzwicki K, Bil A, Latajka Z |