1 - 6 |
Theoretical study on the reactivity of Lewis pairs PR3/B(C6F5)(3) (R = Me, Ph, tBu, C6F5) Wu DL, Jia DZ, Liu AJ, Liu L, Guo JX |
7 - 11 |
Assessment of density functionals on intramolecular dispersion interaction in large normal alkanes Miao JJ, Hua SG, Li SH |
12 - 15 |
On the ability of periodic dispersion-corrected DFT calculations to predict molecular crystal polymorphism in para-diiodobenzene Pedone A, Presti D, Menziani MC |
16 - 20 |
Direct two-photon excitation of Sm3+, Eu3+, Tb3+, Tb.DOTA(-), and Tb.propargylDO3A in solution Sorensen TJ, Blackburn OA, Tropiano M, Faulkner S |
21 - 26 |
Theoretical studies for the formation of gamma-valero-lactone from levulinic acid and formic acid by homogeneous catalysis Assary RS, Curtiss LA |
27 - 31 |
Interaction of cesium ions with calix[2]furan[4]pyrrole and its fluoride complex Kriz J, Dybal J, Makrlik E, Kohnke FH |
32 - 38 |
The effect of coadsorbed water on the stability, configuration and interconversion of formyl (HCO) and hydroxymethylidyne (COH) on platinum (111) Arnadottir L, Stuve EM, Jonsson H |
39 - 43 |
Improved fast photoresponse from Al doped ZnO nanowires network decorated with Au nanoparticles Dhara S, Giri PK |
44 - 48 |
Dilute magnetism in Zn1-xMnxTe nanocrystals grown in a glass template Dantas NO, Silva AD, Ayta WEF, da Silva SW, de Morais PC, Pereira-da-Silva MA, Marques GE |
49 - 53 |
Vibronic energy localization in weakly coupled small molecular aggregates Wehner J, Schubert A, Engel V |
54 - 59 |
Spectroscopic characterization of a series of polyyne-iodine molecular complexes H(C C)(n)H(I-6) of n=5-9 Wada Y, Morisawa Y, Wakabayashi T |
60 - 64 |
Thermally excited vortical flow in a microsized liquid crystal film Zakharov AV, Vakulenko AA |
65 - 69 |
Porous cobalt hydroxide nanosheets with excellent supercapacitive behavior Barmi AAM, Aghazadeh M, Arhami B, Shiri HM, Fazl AA, Jangju E |
70 - 74 |
Magnetism in graphene induced by hydrogen adsorbates Sljivancanin Z, Balog R, Hornekaer L |
75 - 80 |
Nanocrystalline hydroxyapatite ceramics prepared by hydrolysis in polyol medium Mechay A, Feki HEL, Schoenstein F, Jouini N |
81 - 84 |
Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study Orellana W |
85 - 91 |
Open and capped (5,5) armchair SWCNTs: A comparative study of DFT-based reactivity descriptors Saha S, Dinadayalane TC, Leszczynska D, Leszczynski J |
92 - 95 |
Impact energy dependence of defect formation in single-walled carbon nanotubes Zhang C, Mao F, Zhang FS, Zhang YW |
96 - 100 |
Large magnetodielectric effect in nickel zinc ferrite-lithium niobate nanocomposite Banerjee S, Hajra P, Bhaumik A, Bandyopadhyay S, Chakravorty D |
101 - 104 |
Core restructuring for magnetic Fe-55 icosahedral nanoparticles Jedidi A, Markovits A, Minot C, Abderrabba M |
105 - 109 |
Influence of CdSe quantum dot interlayer on the performance of polymer/TiO2 nanorod arrays hybrid solar cell Wang JY, Zhang TJ, Wang D, Pan RK, Wang QQ, Xia HM |
110 - 116 |
Absorption and fluorescence spectra of the neutral and anionic green fluorescent protein chromophore: Franck-Condon simulation Huang TW, Yang L, Zhu CY, Lin SH |
117 - 121 |
MD-SAXS method with nonspherical boundaries Oroguchi T, Ikeguchi M |
122 - 127 |
Search for conical intersection points (CI) by Newton trajectories Quapp W, Bofill JM, Caballero M |