1 - 10 |
On the inclusion of triple and quadruple electron excitations into MRCISD for multiple states Khait YG, Jiang WY, Hoffmann MR |
11 - 18 |
Structural dynamics and transient electric-field effects in ultrafast electron diffraction from surfaces Schafer S, Liang WX, Zewail AH |
19 - 23 |
UV-vis absorption spectroscopy of carbon nanotubes: Relationship between the pi-electron plasmon and nanotube diameter Rance GA, Marsh DH, Nicholas RJ, Khlobystov AN |
24 - 26 |
The importance of anharmonicity in predicting the IR spectra of low coordinated organoarsenic compounds Marchal R, Begue D, Chrostowska A, Pouchan C |
27 - 32 |
The role of cation-pi interactions in ethylenic complexes: A theoretical NMR study Ebrahimi A, Khorassani MH, Masoodi HR |
33 - 36 |
Optical spectrum of proflavine and its ions Bonaca A, Bilalbegovic G |
37 - 44 |
High-level ab initio calculations on low barrier hydrogen bonds and proton bound homodimers Grabowski SJ, Ugalde JM |
45 - 48 |
Structural reciprocity effect in binary silicon-bismuth clusters Zdetsis AD |
49 - 52 |
Highly charged ion energy gain spectroscopy of molecular excitations Lucas AA, Benedek G, Sunjic M, Echenique PM |
53 - 56 |
Characterization of the outer well of NaH C-1 Sigma(+) state by fluorescence depletion spectroscopy Huang HY, Chang YY, Liao MH, Wua KL, Lu TL, Chang YY, Tsai CC, Whang TJ |
57 - 60 |
A modified embedded atom method interatomic potential for alloy SiGe Grochola G, Russo SP, Snook IK |
61 - 66 |
The formation and back isomerization of iso-H2C-Br-Br on a 100-ps time scale following 255-nm excitation of CH2Br2 in acetonitrile El-Khoury PZ, Pal SK, Mereshchenko AS, Tarnovsky AN |
67 - 71 |
Visible spectrum of naphthazarin investigated through Time-Dependent Density Functional Theory Jacquemin D, Peltier C, Ciofini I |
72 - 75 |
Luminescence and scintillation kinetics of the Pr3+ doped Lu2Si2O7 single crystal Nikl M, Ren GH, Ding DZ, Mihokova E, Jary V, Feng H |
76 - 82 |
Magnetic field effect on electron transfer reactions of acridine yellow with amines of varied structures in homogeneous medium Chakraborty B, Basu S |
83 - 86 |
Low-temperature synthesis and structural properties of ferroelectric K3WO3F3 elpasolite Atuchin VV, Gavrilova TA, Kesler VG, Molokeev MS, Aleksandrov KS |
87 - 93 |
The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study Rivalta I, Mazzone G, Russo N, Sicilia E |
94 - 96 |
Soft X-ray absorption spectra of aqueous salt solutions with highly charged cations in liquid microjets Schwartz CP, Uejio JS, Duffin AM, Drisdell WS, Smith JD, Saykally RJ |
97 - 102 |
Special quasirandom structures for binary/ternary group IV random alloys Chroneos A, Jiang C, Grimes RW, Schwingenschlogl U |
103 - 106 |
Aggregate development in C-60/N-methyl-2-pyrrolidone solution and its mixture with water as revealed by extraction and mass spectroscopy Kyzyma OA, Korobov MV, Avdeev MV, Garamus VM, Snegir SV, Petrenko VI, Aksenov VL, Bulavin LA |
107 - 112 |
Evidence of covalent bond formation at the silane-metal interface during plasma polymerization of bis-1,2-(triethoxysilyl)ethane (BTSE) on aluminium Batan A, Mine N, Douhard B, Brusciotti F, De Graeve I, Vereecken J, Wenkin M, Piens M, Terryn H, Pireaux JJ, Reniers F |
113 - 117 |
Enhanced cathodoluminescence from ZnS based phosphors with self-assembled ZnO nano-structures Ahn SI, Lee SE, Lee WH, Park SH, Choi KC |
118 - 120 |
Molecular dynamics simulation of silver nanoparticles in a europium doped sodosilicate glass Monteil A, Ghemid S, Chaussedent S, El Jouad M, dos Santos MAC |
121 - 125 |
Effect of Fe3O4 on morphology of Fe-SnO2 hyperbranched heterostructures Sathe BR, Walke PS, Mulla IS, Pillai VK |
126 - 129 |
Electronic structure of cobalt phthalocyanine studied by resonant photoemission: Localization of Co-related valence band states Peisert H, Biswas I, Aygul U, Vollmer A, Chasse T |
130 - 134 |
Interaction of nucleic acid bases and Watson-Crick base pairs with fullerene: Computational study Shukla MK, Dubey M, Zakar E, Namburu R, Leszczynski J |
135 - 140 |
Negative differential resistance in electrografted layer of N-(2-(4-diazoniophenyl)ethyl)-N'-hexylnaphthalene-1,8:4,5-tetracarboxydiimide tetrafluoroborate on Si Koiry SP, Aswal DK, Jousselme B, Majumdar C, Gupta SK, Palacin S, Yakhmi JV |
141 - 146 |
A theoretical study on the photoluminescence of SrTiO3 Gracia L, Andres J, Longo VM, Varela JA, Longo E |
147 - 150 |
Polyglycerol-derived amphiphiles for single walled carbon nanotube suspension Setaro A, Popeney CS, Trappmann B, Datsyuk V, Haag R, Reich S |
151 - 157 |
Crystal structure and electronic properties of two nimesulide derivatives: A combined X-ray powder diffraction and quantum mechanical study Bhattacharya A, Ghosh S, Kankanala K, Reddy VR, Mukkanti K, Pal S, Mukherjee AK |
158 - 164 |
Effect of 1-alcohols on DNA condensation and protein folding Marchetti S, Cinelli S, Onori G |
165 - 169 |
A kinetic analysis of strand breaks on large DNA induced by cigarette smoke extract Kurita H, Takata T, Yasuda H, Takashima K, Mizuno A |
170 - 172 |
Optical modification of the vibrational distribution of the iodine molecule Goto H, Katsuki H, Ohmori K |
173 - 178 |
A calculation of spectroscopic parameters for hydrogen fluoride with multi-reference state-specific coupled-cluster method Klimenko TA, Ivanov VV, Lyakh DI, Adamowicz L |
179 - 184 |
Ability of a coupled electron pair approximation to treat single bond breakings Malrieu JP, Zhang HJ, Ma J |
185 - 190 |
Spin relaxation in a ferromagnetically coupled triangular Cu-3 complex Sanakis Y, Pissas M, Krzystek J, Telser J, Raptis RG |
191 - 194 |
Zero-phonon line: Effect of quadratic electron-phonon coupling Hizhnyakov V |
195 - 199 |
Theoretical investigation on the second hyperpolarizabilities of open-shell singlet systems by spin-unrestricted density functional theory with long-range correction: Range separating parameter dependence Bonness S, Fukui H, Yoneda K, Kishi R, Champagne B, Botek E, Nakano M |
200 - 205 |
One-dimensional anharmonic oscillator: Quantum versus classical vibrational partition functions Beste A |