1 - 8 |
Uncertainty quantification: Making predictions of complex reaction systems reliable Russi T, Packard A, Frenklach M |
9 - 15 |
A practical implementation of semi-classical transition state theory for polyatomics Nguyen TL, Stanton JF, Barker JR |
16 - 20 |
H3N center dot center dot center dot Ag-Cl: Synthesis in a supersonic jet and characterisation by rotational spectroscopy Mikhailov VA, Tew DP, Walker NR, Legon AC |
21 - 25 |
Four-state conical intersections: The nonradiative deactivation funnel connected to O-O homolysis in benzene endoperoxide Corral I, Gonzalez L |
26 - 30 |
Tuning the position of unpaired electrons and doublet-quartet gap of the 1,3,5-trimethylenebenzene triradical by nitrogen, phosphorus and arsenic substitution Holtzl T, Veszpremi T, Nguyen MT |
31 - 35 |
Angular distribution anisotropy of fragments ejected from methyl iodide clusters: Dependence on fs laser intensity Karras G, Kosmidis C |
36 - 39 |
The 4(1)Sigma(+) electronic state of KLi molecule Szczepkowski J, Grochola A, Jastrzebski W, Kowalczyk P |
40 - 44 |
High resolution synchrotron far-infrared study of (CH2DBr)-Br-79: The v(6) fundamental and 2v(6) - v(6), v(5) + v(6) - v(6) and v(6) + v(9) -v(6) hot bands Baldacci A, Visinoni R, Larsen RW |
45 - 50 |
Ultrafast electronic motion in hydrogen molecular ions induced by a high power intense laser Mineo H, Teranishi Y, Chao SD, Lin SH |
51 - 55 |
Theoretical study on the formation of tetraoxygen conformational isomerism in the CO2 with O-3 reaction Goodarzi M, Piri F, Hajari N, Karimi L |
56 - 61 |
Car-Parrinello and path integral molecular dynamics study of the hydrogen bonds in 2-acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene Durlak P, Latajka Z |
62 - 65 |
Generality of forming stable organic glasses by vapor deposition Zhu L, Yu LA |
66 - 69 |
Hydrogen-hydrogen bonding: A stabilizing interaction in strained chelating rings of metal complexes in aqueous phase Cukrowski I, Matta CF |
70 - 74 |
Cyclodextrin-surfactant binding constant as driven force for uncomplexed cyclodextrin in equilibrium with micellar systems Cepeda M, Davina R, Garcia-Rio L, Parajo M |
75 - 78 |
Electronic and magnetic properties of the Fe-doped CuInS2 Tablero C |
79 - 82 |
On the pairwise hydrophobic interaction of fullerene Graziano G |
83 - 88 |
The adsorption, diffusion and dissociation of O-2 on Pt-skin Pt3Ni(111): A density functional theory study Yang ZX, Wang JL, Yu XH |
89 - 93 |
Solvent and rotational relaxation of Coumarin-153 in a micellar solution of a room-temperature ionic liquid, 1-butyl-3-methylimidazolium octyl sulfate, in ethylammonium nitrate Rao VG, Ghatak C, Pramanik R, Sarkar S, Sarkar N |
94 - 99 |
Raman spectroscopic and optical imaging of high spin/low spin domains in a spin crossover complex Bedoui S, Molnar G, Bonnet S, Quintero C, Shepherd HJ, Nicolazzi W, Salmon L, Bousseksou A |
100 - 102 |
On the absorption properties of the excited states of DMABN Galvan IF, Martin ME, Aguilar MA |
103 - 107 |
Structural stability and elastic properties of prototypical covalent organic frameworks Zhou W, Wu H, Yildirim T |
108 - 112 |
Excited state electronic polarization and reappraisal of the n <- pi* emission of acetone in water Orozco-Gonzalez Y, Coutinho K, Canuto S |
113 - 116 |
X-ray absorption spectroscopy study of the solvation structure of zinc(II) in dimethyl sulfoxide solution Zitolo A, D'Angelo P |
117 - 120 |
Matrix-isolation infrared spectra of HOOBr and HOBrO produced upon VUV light irradiation of HBr/O-2/Ne system Akai N, Wakamatsu D, Yoshinobu T, Kawai A, Shibuya K |
121 - 125 |
New photo-isomerization path of indocyanine green in condensed phase investigated by two-pump excitation Fuyuki M, Furuta K, Wada A |
126 - 130 |
Hybrid density functional theory description of oxygen vacancies in the CeO2 (110) and (100) surfaces Nolan M |
131 - 135 |
Formation and microstructural characterization of In2O3 sheath layer on InN nanostructures Ahn HB, Kim YH, Kim MD, Kim CS, Lee JY |
136 - 140 |
The interfacial electronic structure of fullerene/ultra thin dielectrics of SiO2 and SiON Cho SW, Yi Y, Chung KB, Kang SJ, Cho MH |
141 - 145 |
Surface area of closed carbon nanotubes determined from room temperature measurements of alcohols adsorption Furmaniak S, Terzyk AP, Golembiewski R, Gauden PA |
146 - 151 |
A theoretical study of pi-stacking tetracene derivatives as promising organic molecular semiconductors Sancho-Garcia JC, Perez-Jimenez AJ |
152 - 157 |
Graphene analogue BCN: Femtosecond nonlinear optical susceptibility and hot carrier dynamics Kumar S, Kamaraju N, Vasu KS, Nag A, Sood AK, Rao CNR |
158 - 160 |
Depth profile analysis of organic multi-layer device with nanometer resolution using surface-enhanced Raman spectroscopy Muraki N, Miyamoto T, Yoshikawa M |
161 - 163 |
Features of quantum control in the sudden regime Klein M, Beltrani V, Rabitz H |
164 - 167 |
Complete basis set limit extrapolation calculations with PNOF3 Matxain JM, Piris M, Lopez X, Ugalde JM |
168 - 172 |
Assessment of Gaussian-4 theory for energy barriers Curtiss LA, Redfern PC, Raghavachari K |
173 - 177 |
Study of the oscillation and luminol chemiluminescence in the H2O2-KSCN-CuSO4-NaOH system Kiatisevi S, Maisch S |
178 - 181 |
Theoretical analysis of optical spectra of uranyl in complexes Liu GK, Jensen MP |