1 - 14 |
Determination of the collisional energy transfer distribution responsible for the collision-induced dissociation of NO2 with Ar Steill JD, Jasper AW, Chandler DW |
15 - 21 |
Nonadiabatic photodynamics of phenol on a realistic potential energy surface by a novel multilayer Gaussian MCTDH program Skouteris D, Barone V |
22 - 25 |
One-dimensional CdWO4: Tb3+ nanofibers: Electrospinning fabrication and luminescence Li B, Zhang H, Lan AY, Tang HX |
26 - 30 |
Optical and fluorescence properties of MgO nanoparticles in micellar solution of hydroxyethyl laurdimonium chloride Salem JK, El-Nahhal IM, Hammad TM, Kuhn S, Abu Sharekh S, El-Askalani M, Hempelmann R |
31 - 34 |
A theoretical study of substituted indeno[1,2-b]fluorene compounds and their possible applications in solar cells Martinez I, Zarate X, Schott E, Morales-Verdejo C, Castillo F, Manriquez JM, Chavez I |
35 - 38 |
Significance of critical photon density in the multi-photon process in laser desorption ionization using ultra-high resolution FT-ICR MS Baek SJ, Kim J, Kim HS |
39 - 45 |
Solvent effects to compute UV-vis spectra for ionic metal complexes Boumendil S, Cornard JP, Sekkal-Rahal M, Moncomble A |
46 - 50 |
Visualization of the four-component g-tensor density as a three-dimensional function Ashera JR, Malkin VG, Malkina OL |
51 - 57 |
H2S and NH3 adsorption characteristics on CoO nanowire molecular device - A first-principles study Sriram S, Nagarajan V, Chandiramouli R |
58 - 61 |
Raman study on a bulk-heterojunction film of pentacene and C-60 Iwasawa Y, Furukawa Y |
62 - 66 |
Encapsulated beta-carotene in ZnO nanotubes: Theoretical insight into the stabilization dynamics Monteiro FF, Azevedo DL, da Silva EC, Ribeiro LA, Fonseca ALDA |
67 - 71 |
Rotationally inelastic collisions of fulminic acid (HCNO) by He atom at low temperature Naindouba A, Nkem C, Ajili Y, Hammami K, Gotoum N, Owono LCO |
72 - 77 |
Enantio sensing property of helicin, the derivative of a natural product: Discrimination of amines and amino alcohols Kumari D, Sachin SL, Suryaprakash N |
78 - 83 |
Electroless deposition of Ag through-void arrays for integrated extraordinary optical transmission-based plasmonic sensing and surface-enhanced Raman scattering Xu D, Chen S, Li HH, Yang ZL, Hu JW |
84 - 89 |
Effect of molecular diameters on state-to-state transport properties: The shear viscosity coefficient Kustova EV, Kremer GM |
90 - 96 |
Third-order density-functional tight-binding combined with the fragment molecular orbital method Nishimoto Y, Fedorov DG, Irle S |
97 - 102 |
Micro-hydration and acid dissociation mechanism of B(OH)(3) Zhou YQ, Fang Y, Fang CH, Zhu FY, Ge HW, Liu HY |
103 - 109 |
NH3 and PH3 adsorption through single walled ZnS nanotube: First principle insight Khan MS, Srivastava A, Chaurasiya R, Khan MS, Dua P |
110 - 116 |
Ab initio molecular dynamics simulation of ethanol decomposition on platinum cluster at initial stage of carbon nanotube growth Shibuta Y, Shimamura K, Arifin R, Shimojo F |
117 - 120 |
Effective utilization of noncovalent interaction descriptor in BX3-Lewis base complexes: A determination of adduct/van der Waals complexes and reassessment of the BX3 acid strength order Lu RQ, Zhao YX, Lin J, Zhao X |
121 - 128 |
Spectral signatures of semiconductor clusters: (CdSe)(16) isomers Gutsev LG, Dalal NS, Ramachandran BR, Weatherford CA, Gutsev GL |
129 - 133 |
Pore-size dependent effects on structure and vibrations of 1-ethyl-3-methylimidazolium tetrafluoroborate in nanoporous carbon Thurmer S, Kobayashi Y, Ohba T, Kanoh H |
134 - 140 |
Efficient photon capturing in Cu(In,Ga)Se-2 thin film solar cells with ZnO nanorod arrays as an antireflective coating Bai AQ, Tang Y, Chen J |
141 - 145 |
Strong blue absorption of green Zn2SiO4:Mn2+ phosphor by doping heavy Mn2+ concentrations Park KW, Lim HS, Park SW, Deressa G, Kim JS |
146 - 153 |
Measurement and prediction of the NEXAFS spectra of pyrimidine and purine and the dissociation following the core excitation Lin YS, Lin HR, Liu WL, Lee YT, Tseng CM, Ni CK, Liu CL, Tsai CC, Chen JL, Hu WP |
154 - 162 |
A theoretical study of a homologous series of zinc n-alkanoates (2 <= n(C) <= 8): Structural analysis, evaluation of their interactions and monofilm formation Tavares SR, Wypych F, Leitao AA |
163 - 166 |
Interaction of metallic clusters with biologically active curcumin molecules Gupta SK, He HY, Liu CH, Dutta R, Pandey R |
167 - 171 |
Investigation of structural and dynamical properties of hafnium(IV) ion in liquid ammonia: An ab initio QM/MM molecular dynamics simulation Suwardi, Pranowo HD, Armunanto R |
172 - 179 |
QM/MM study of the S-2 to S-3 transition reaction in the oxygen-evolving complex of photosystem II Shoji M, Isobe H, Yamaguchi K |
180 - 192 |
Comparative ligational, optical band gap and biological studies on Cr(III) and Fe(III) complexes of hydrazones derived from 2-hydrazinyl-2-oxo-N-phenylacetamide with both vanillin and O-vanillin Yousef TA, Abu El-Reash GM, Attia MI, El-Tabai MN |
193 - 196 |
Buckled nanorod - The dynamics of a two state system treated with an exact Hamiltonian Dehning J, Chakraborty A |
197 - 202 |
D-Dimensional relativistic energies for silver dimer Sun Y, Zhang GD, Jia CS |
203 - 207 |
Non-Faraday rotation of the free induction decay in gaseous NO Chesnokov EN, Kubarev VV, Koshlyakov PV, Getmanov YV, Shevchenk OA |
208 - 215 |
Synthesis, growth, vibrational spectral investigations and structure-property relationship of an organic NLO crystal: 3,4-Dimethoxy chalcone Alen S, Sajan D, Joseph L, Chaitanya K, Shettigar V, Jothy VB |
216 - 220 |
Self-assembled biomimetic nanoreactors I: Polymeric template McTaggart M, Malardier-Jugroot C, Jugroot M |
221 - 227 |
Self-assembled biomimetic nanoreactors II: Noble metal active centers McTaggart M, Malardier-Jugroot C, Jugroot M |
228 - 229 |
Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015) Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P |
229 - 229 |
An implementation of the Levenberg-Marquardt algorithm for simultaneous-energy-gradient fitting using two-layer feed-forward neural networks (vol 629, pg 40, 2015) Nguyen-Truong HT, Le HM |