1 - 3 |
Estimation of some physical properties for tennessine and tennessine hydride (TsH) de Farias RF |
4 - 8 |
Reaction between the Pt(II)-complexes and the amino acids of the beta-amyloid peptide Novato WTG, Stroppa PHF, Da Silva AD, Botezine NP, Machado FC, Costa LAS, Dos Santos HF |
9 - 14 |
Structure and optical properties of KLa9(GeO4)(6)O-2 and KLa8.37Eu0.63(GeO4)(6)O-2 Lipina OA, Surat LL, Tyutyunnik AP, Enyashin AN, Chufarov AY, Zubkov VG |
15 - 19 |
Modulation of organic interfacial spin polarization by interfacial angle Zhang Z, Li Y, Zhang GP, Ren JF, Wang CK, Hu GC |
20 - 24 |
Fabrication of "petal effect" surfaces by femtosecond laser-induced forward transfer Li HJ, Fan WZ, Pan HH, Wang CW, Qian J, Zhao QZ |
25 - 31 |
A stress tensor eigenvector projection space for the (H2O)(5) potential energy surface Xu TL, Farrell J, Momen R, Azizi A, Kirk SR, Jenkins S, Wales DJ |
32 - 37 |
Monodisperse and size-tunable CoO nanocrystals synthesized by thermal decomposition and as an active precursor for Fischer-Tropsch synthesis Lv S, Zhao X, Xia GF, Jin C, Wang L, Yang WM, Zhang YH, Li JL |
38 - 44 |
Alloying of metal nanoparticles by ion-beam induced sputtering Magudapathy P, Srivastava SK, Gangopadhyay P, Amirthapandian S, Saravanan K, Das A, Panigrahi BK |
45 - 50 |
Electron transfer through organic molecular wires: A theoretical study Lathiotakis NN, Theodorakopoulos G, Petsalakis ID |
51 - 54 |
Charge-transfer (CT) orbitals for the one-electron description of CT excitations in a wide range of donor-acceptor separations Gritsenko OV |
55 - 61 |
Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl) phosphate ionic liquid McMurray JW, Zhou Y, Luo HM, Qu J |
62 - 67 |
Resolving solvophobic interactions inferred from experimental solvation free energies and evaluated from molecular simulations Barnett JW, Bhutta A, Bierbrier SC, Moura ND, Ashbaugh HS |
68 - 73 |
MWCNT/CdS nanobelt based hybrid structures and their enhanced photoelectrical performance Lee DJ, Ilanchezhiyan P, Kumar GM, Kwak DW, Woo YD, Kim DY, Kang TW |
74 - 78 |
A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems Bennett MC, Kulahlioglu AH, Mitas L |
79 - 86 |
Effects of finite laser pulse width on two-dimensional electronic spectroscopy Leng X, Yue S, Weng YX, Song K, Shi Q |
87 - 90 |
Structural flexibility of DABCO. Ab initio and DFT benchmark study Nizovtsev AS, Ryzhikov MR, Kozlova SG |
91 - 95 |
First principle study on water protons interacted with gadolinium oxide and gold nanocluster Xia XL, Li CR, Hu WY, Shao YZ |
96 - 102 |
The complex-forming dynamics of Ne + NeH(D)(+) (v=0, 1; j=0) reactions Li WL |
103 - 107 |
Exploring optical dielectric function of impurity doped quantum dots under combined influence of hydrostatic pressure and temperature and in presence of noise Bera A, Ghosh M |
108 - 112 |
Computer simulation of a phosphorescent probe inside beta-cyclodextrin matrices Odinokov A, Alfimov M |
113 - 119 |
Adatom-induced local reconstructions in zigzag silicene nanoribbons: Spin semiconducting properties and large spin thermopowers Yang XF, Zou XL, Kuang YW, Shao ZG, Zhang J, Hong XK, Zhang DB, Feng JF, Chen XS, Liu YS |
120 - 123 |
Investigation of low frequency electrolytic solution behavior with an accurate electrical impedance method Ho KC, Su VC, Huang DY, Lee ML, Chou NK, Kuan CH |
124 - 128 |
Intermolecular interaction effect on the inelastic electron tunneling spectroscopy of bi-octane-monothiol junctions Leng JC, Zhao LY, Zhang YJ, Ma H |
129 - 136 |
Colliding the hydrocarbon building blocks of astrochemical polycyclic aromatic hydrocarbons with 8 keV He+center dot and H-2(+center dot) ions: Luminescence from methane, acetylene, benzene and naphthalene Rashid S, Sit A, West B, Mayer PM |
137 - 145 |
Thiacalix[4]arene functionalized gold nano-assembly for recognition of isoleucine in aqueous solution and its antioxidant study Darjee SM, Bhatt K, Kongor A, Panchal MK, Jain VK |
146 - 153 |
Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur Du L, Tang SS, Hansen AS, Frandsen BN, Maroun Z, Kjaergaard HG |
154 - 157 |
Rotational study of the bimolecule acetic acid-fluoroacetic acid Feng G, Gou Q, Evangelisti L, Caminati W |
158 - 164 |
Machine learning prediction for classification of outcomes in local minimisation Das R, Wales DJ |
165 - 171 |
Synthesis and structural characterization of ZnO and CuO nanoparticles supported mesoporous silica SBA-15 El-Nahhal IM, Salem JK, Selmane M, Kodeh FS, Ebtihan HA |
172 - 179 |
An automated and efficient conformational search of glycine and a glycine-water heterodimer both in vacuum and in aqueous solution Kishimoto N |
180 - 186 |
Quasiclassical trajectory and wave packet calculations for D + CaCl(X-2 Sigma(+), v(i)=0, j(i)=0) -> DCl + Ca(S-1) reaction Tan RS, Yan W, Lin SY |
187 - 191 |
A generalized model on the evaluation of entropy and entropy of mixing of liquid Na-Sn alloys Satpathy A, Sengupta S |
192 - 198 |
The Co(II), Ni(II) and Cu(II) complexes with herbicide 2,4-dichlorophenoxyacetic acid - Synthesis and structural studies Drzewiecka-Antonik A, Ferenc W, Wolska A, Klepka MT, Cristovao B, Sarzynski J, Rejmak P, Osypiuk D |
199 - 205 |
Electron transport in HBr adsorbed boron doped carbon nanotube Srivastava R, Khan MS, Shrivastava S, Srivastava A |
206 - 210 |
alpha-NaYF4:Yb3+-Tm3+@CaF2 nanocrystals for NIR-to-NIR temperature sensing Wu RZ, Zhou JJ, Lei L, Zhang SJ, Xiao Z, Zhang JJ, Xu SQ |
211 - 215 |
Thermodynamic properties for the lithium dimer Jia CS, Zhang LH, Wang CW |
216 - 219 |
Binding of oxygen with titanium dioxide on singlet potential energy surface: An ab initio investigation Bogdanchikov GA, Baklanov AV |
220 - 225 |
Theoretical pK(a) prediction of the alpha-phosphate moiety of uridine 5'-diphosphate-GlcNAc Vipperla B, Griffiths TM, Wang XY, Yu HB |
226 - 232 |
Thermal and pump power effect in SrMoO4:Er3+-Yb3+ phosphor for thermometry and optical heating Soni AK, Rai VK |
233 - 237 |
Electronuclear paths in the nuclear conversion of molecular hydrogen in silicon Ilisca E, Ghiglieno F |
238 - 243 |
Dissociative photoionization of 1,2-dichloroethane in intense near-infrared femtosecond laser field Zhang J, Yang Y, Li ZP, Zhang SA, Sun ZR |
244 - 246 |
The differential virial theorem with gradient- and Laplacian-dependent operator formulas Finley JP |
247 - 253 |
Heterogeneity in optical properties of near white-light emissive europium complex species revealed by spectroscopy of single nanoaggregates Irfanullah M, Sharma DK, Chulliyil R, Layek A, De SM, Chowdhury A |
254 - 259 |
A novel D2-A-D1-A-D2-type donor-acceptor conjugated small molecule based on a benzo[1,2-b:4,5-b']dithiophene core for solution processed organic photovoltaic cells Yu JT, Zhu WG, Tan H, Peng Q |
260 - 266 |
Preparation and electrochemical properties of NiO-Co3O4 composite as electrode materials for supercapacitors Wang XW, Zheng DL, Yang PZ, Wang XE, Zhu QQ, Ma PF, Sun LY |
267 - 271 |
Activation of N-2 by isolated small tungsten clusters at room temperature Sugawara K, Yamaguchi W, Shimoi Y, Murakami J |
272 - 277 |
Thermal electron attachment to chlorinated alkenes in the gas phase Wnorowski K, Wnorowska J, Michalczuk B, Jowko A, Barszczewska W |
278 - 283 |
Quantum-chemical prediction of the effects of Ni-loading on the hydrogenation and water-splitting efficiency of TiO2 nanoparticles with an experimental test Lin CK, Chuang CC, Raghunath P, Srinivasadesikan V, Wang TT, Lin MC |
284 - 289 |
Understanding the emission pattern produced by focused laser beam excitation of perylene square single crystals Takazawa K |
290 - 295 |
The prospect of sensitizing organic dyes attached to the MoS2 surface: Physical insights from density functional theory investigations Le HM, Bui VQ, Tran PH, Pham-Tran NN, Kawazoe Y, Duc NM |
296 - 300 |
Correlation between overcharging peculiarities and the solubility of interpolyelectrolyte complexes Lyulin SV |
301 - 306 |
Quantum half-adder Boolean logic gate with a nano-graphene molecule and graphene nano-electrodes Srivastava S, Kino H, Joachim C |
307 - 316 |
Numerical investigation of nanofluid transportation in a curved cavity in existence of magnetic source Sheikholeslami M, Ganji DD |
317 - 321 |
Quantum chemical prediction of vibrational spectra of large molecular systems with radical or metallic electronic structure Nishimoto Y, Irle S |
322 - 326 |
Dynamics of formation of the Exclusion Zone near hydrophilic surfaces De Ninno A |
327 - 331 |
Theoretical prediction of some novel nanotubes composed of macrocyclic structures: A DFT study Masoodi HR, Bagheri S, Ranjbar-Karimi R |
332 - 336 |
Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water Cabral BJC |
337 - 344 |
An ab initio study on anionic aerogen bonds Esrafili MD, Mohammadian-Sabet F |
345 - 350 |
Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH Shayesteh A, Alavi SF, Rahman M, Gharib-Nezhad E |
351 - 356 |
Facile and low-cost fabrication of Ag-Cu substrates via replacement reaction for highly sensitive SERS applications Hu LT, Liu YJ, Xu SC, Li Z, Guo J, Gao SS, Lu ZY, Si HP, Jiang SZ, Wang SY |