دانلود مقالات ISI درباره Mopac + ترجمه فارسی

Steric demands in the formation of heteroleptic Cu(I) complexes with α-diimines and triphenylphosphine

Keywords: Diazabutenes; Copper(I) complexes; Triphenylphosphine complexes; Crystal structure; MOPAC;

دانلود رایگان متن کامل مقاله ISI 19 صفحه سال انتشار : 2018 سفارش ترجمه

Lauryl phosphate adsorption in the flotation of Bastnaesite, (Ce,La)FCO3

Keywords: Lauryl phosphate; Adsorption; Flotation; Bastnaesite; MDS; Contact angle; Avogadro; MOPAC;

دانلود رایگان متن کامل مقاله ISI 24 صفحه سال انتشار : 2017 سفارش ترجمه

A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process

Keywords: BACE1; Hydroxyethylamine; Flap; PM7; MOPAC; Interaction energy; GROMACS; Molecular dynamics;

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2017 سفارش ترجمه

Imidazo[1,2-a]pyrazin-8-amine core for the design of new adenosine receptor antagonists: Structural exploration to target the A3 and A2A subtypes

Keywords: G protein-coupled receptors; Adenosine receptor antagonists; Imidazopyrazines; Bicyclic heteroaromatic systems; Ligand-receptor modeling studies; AR; adenosine receptor; AB-MECA; N6-(4-Aminobenzyl)-N-methylcarboxamidoadenosine; NECA; 5'-(N-ethyl-carboxa

دانلود رایگان متن کامل مقاله ISI 49 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis, structure, theoretical studies and luminescent properties of a ternary erbium(III) complex with acetylacetone and bathophenanthroline ligands

Keywords: β-diketonate; Erbium(III); MOPAC; Sparkle; TDDFT;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2015 سفارش ترجمه

Crystal structure, Z-scan measurements and theoretical calculations of third-order nonlinear optical properties of tetrachloro(1,10-phenanthroline-N,N′)tin(IV)

Keywords: X-ray crystal structure; Third-order nonlinear optics; Z-scan; MOPAC;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2014 سفارش ترجمه

hERG blocking potential of acids and zwitterions characterized by three thresholds for acidity, size and reactivity

Keywords: AZA; acids and zwitterionic ampholytes; DE; donor (electrophilic) superdelocalizability (a.u./eV); DEMaxN; the maximum of DE for all nitrogen atoms in a conformer (a.u./eV); DiamEff; conformer effective cross-sectional diameter, (Å); hERG; human ether-a-

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2014 سفارش ترجمه

Discovery of novel A3 adenosine receptor ligands based on chromone scaffold

Keywords: [3H]CCPA; [3H](2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; [3H]HEMADO; [3H] 2-(1-Hexynyl)-N6-methyladenosine; [3H]NECA; [3H]adenosine-5′-(N-ethylcarboxamide); AR; Adenosine receptor; Arg; arginine; Asn; as

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2012 سفارش ترجمه

Theoretical analysis of fluorine-passivated germanium surface for high-k/Ge gate stack by molecular orbital method

Keywords: Semi-empirical molecular orbital method; MOPAC; Fluorine; Surface passivation; High-k/Ge gate stack;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Boron ions B+ interaction with Si(100) and Ge(100) surfaces

Keywords: Si(100) and Ge(100) surface; Boron ions; Adsorption; Simulation; MOPAC

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2009 سفارش ترجمه

Synthesis of fluorinated cyclic s-trans vinylogous acid and amide ester derivatives

Keywords: Trifluoromethyl; Cyclic enaminone; s-trans; MOPAC; Vinylogous; Michael acceptors;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2006 سفارش ترجمه

Simulation of phosphorus ions interaction with Ge(1 0 0)-2×1 surfaces

Keywords: Ge(1 0 0) surface; Phosphorus ions; Adsorption; Simulation; MOPAC;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2005 سفارش ترجمه