Keywords: VDW; QM/MM; quantum mechanics/molecular mechanics; XB; halogen bonding; X; halogen; D; donor group; A; acceptor group; ESP; electrostatic potential; HB; hydrogen bonding; PDB; protein data bank; DFT; density functional theory; RESP; restrained electrostatic po
مقالات ISI VDW (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: VDW; adc; 9,10-anthracenedicarboxylate; ANG; adsorbent natural gas; bdp; 1,4-benzenedipyrazolate; 4,4â²-bpy; 4,4â²-bipyridine; BTAC; benzene-1,3,5-β-acrylate; BTB; benzene-1,3,5-tribenzoate; BET; Brunauer-Emmett-Teller; bdc; 1,4-benzenedicarboxylate; BP
Keywords: VDW; DPI; Dry powder inhaler; CF; cystic fibrosis; COPD; chronic obstructive pulmonary disease; pMDIs; pressurized metered dose inhalers; TB; tuberculosis; VdW; Van der Waals; FPF; fine particle fraction; MMAD; mass median aerodynamic diameter; LPPs; large por
Keywords: VDW; MD; molecular dynamics; VDW; van der Waals; VSD; ventricular septal defect; ANOVA; analysis of variance; PPO; protoporphyrinogen oxidase; NMR; nuclear magnetic resonance; TI; thermodynamic integration; NVT; constant number (N), volume (V), and temperature
Keywords: VDW; IS; ionic strength; XDLVO; Extended Derjaguin-Landau-Verwey-Overbeek; NPs; nanoparticles; CFT; colloid filtration theory; EDL; electrostatic double layer interaction; vdW; van der Waals interaction; PFU; plaque forming unit; BTC; breakthrough concentratio
Keywords: VDW; NWs; nanowires; hard-AAO; hard-anodic aluminum oxide; VDW; vortex domain wall; Hc (θ); angular dependence of coercivity; Sq (θ); angular dependence of squareness; Ms; saturation magnetization; θc; crossover angle; Magnetic alloy nanowire arrays; Hard-a
Keywords: VDW; Ã
; Angstrom; AFM; atomic force microscopy; AMBER; Assisted Model Building and Energy Refinement R. Salomon-Ferrer, D.A. Case, R.C. Walker, An overview of the Amber biomolecular simulation package, WIREs Comput. Mol. Sci. 3 (2012) 198-210; BSA; Bovine s
Keywords: VDW; STM; Scanning tunneling microscopy; STS; Scanning tunneling spectroscopy; IETS; Inelastic electron tunneling spectroscopy; EELS; Electron energy loss spectroscopy; SFG; Sum-frequency generation spectroscopy; NMR; Nuclear magnetic resonance; XRD; X-ray dif
Keywords: VDW; ABACUS; acronym for A Backbone based Amino aCid Usage Survey; CPD; computational protein design; NMR; nuclear magnetic resonance; HSQC; heteronuclear single quantum coherence spectra; NOE; nuclear Overhauser enhancement; RDC; backbone residual dipolar cou
Keywords: VDW; Graphene; Nanostructures; Nanocomposites; Graphene-based materials; Energy storage; Energy conversion; AFC; alkaline fuel cell; AFM; atomic force microscopy; BET; Brunauer-Emmett-Teller; BHJ; bulk-heterojunction; CNT; carbon nanotube; CTAB; ctyltrimethyl
Keywords: VDW; AFM; atomic force microscopy; API; active pharmaceutical ingredient; CA; contact angle; CAB; adhesive-cohesive balance; COPD; chronic obstructive pulmonary disease; DMT; Derjaguin-Muller-Toporov; DPI; dry powder inhaler; FPF; fine particle fraction;
Keywords: VDW; 0D; zero-dimensional; 1D; one-dimensional; 2D; two-dimensional; AC; alternating current; aCGNTs; aligned catalytically grown nanotubes; AFM; atomic force microscope; AGNTs; arc-grown nanotubes; APTS; 3-aminopropyltriethoxysilane; n; Avrami exponent; CNFs;
Keywords: VDW; TNFα; tumour necrosis factor-α; IL-1β; interleukin-1 β; IL-1F; interleukin-1 family; M-I; Mekler-Idlis; MRT; molecular recognition theory; DMSO; dimethylsulphoxide; COSY; correlation spectroscopy; NOE; nuclear Overhauser effect; NOESY; nuclear Ove
Keywords: VDW; AA; ascorbic acid; BET; back electron-transfer; CB; conduction band; CdS; cadmium sulfide; CdTe; cadmium telluride; CS; charge-separation; CT; charge-transfer; CytC; Cytochrome C; DFT; density functional theory; DHA; dehydroascorbate; EC-STM; electrochemi
Keywords: VDW; 2D; two-dimensional; ARPES; angle-resolved photoemission spectroscopy; An-CH3; 9,10-dimethylanthracene; An-Br; 9,10-dibromoanthracene; AIE; aggregation induced emission; BSA; bovine serum albumin; CVD; chemical vapor deposition; CFG; chemical functionaliz
Electrically tunable band gap of the 1T-MoS2 based heterostructure: A first-principles calculation
Keywords: VDW; Tunable band gap; vdW; Heterostructures; Electric field; First-principles calculation;
DFT modelling of ethanol on BaTiO3 (0â¯0â¯1) surface
Keywords: VDW; BaTiO3 (0â¯0â¯1); Ethanol; DFTâ¯+â¯U; vdW; Density of states; Electron localization function;
Controlling structural and magnetic properties in CoNi and CoNiFe nanowire arrays by fine-tuning of Fe content
Keywords: VDW; CoNi nanowires; CoNiFe nanowires; Anodic aluminum oxide template; Fe additive; Magnetic properties; Angular first-order reversal curves; NW; Nanowire; AAO; anodic aluminum oxide; AFORCs; angular first-order reversal curves; HcHyst; average coercivity; HcF
Prediction of vapour-liquid and vapour-liquid-liquid equilibria of nitrogen-hydrocarbon mixtures used in J-T refrigerators
Keywords: VDW; BIP; Binaray interaction parameter; EOS; Equation of state or Equations of state; HE; Helmholtz Energy; J-T; Joule Thomson; LCST; Lower critical solution temperature; L1; Heavy liquid; L2; Light liquid; PR; Peng-Robinson; vdW; van der Waals; V; Vapour; VL
Stencil lithography of superconducting contacts on MBE-grown topological insulator thin films
Keywords: VDW; TI; topological insulator; SC; superconductor; JJ; Josephson junction; MZM; Majorana zero mode; MBE; molecular beam epitaxy; Ql; quintuple layer; S-TI-S; Superconductor-Topological Insulator-Superconductor; TEM; transmission electron microscope; vdW; van-
The discovery of benzoxazine sulfonamide inhibitors of NaV1.7: Tools that bridge efficacy and target engagement
Keywords: VDW; NaV1.7; voltage gated sodium channel 1.7; SCN9A; sodium voltage-gated channel alpha subunit 9; TM; transmembrane; VSD; voltage sensing domain; CLu; unbound clearance; HLM; human liver microsome; RLM; rat liver microsome; PX; patch express; LLE; ligand lip
Spatially-resolved studies on the role of defects and boundaries in electronic behavior of 2D materials
Keywords: VDW; 0D; zero-dimensional; 1D; one dimensional; 2D; two-dimensional; 3D; three-dimensional; AFM; atomic force microscope; BL; bilayer; CVD; chemical vapor deposition; DFT; density functional theory; dI/dV; differential tunneling conductance; DOS; density of st
Molecular interactions between 1-butyl-3-methylimidazolium tetrafluoroborate and model naphthenic acids: A DFT study
Keywords: VDW; NAs; naphthenic acids; ILs; ionic liquids; [BMIM][BF4]; 1-butyl-3-methylimidazolium tetrafluoroborate; CHCA; cyclohexanecarboxylic acid; CPCA; cyclopentanecarboxylic acid; BA; benzoic acid; CHPA; cyclohexanepentanoic acid; CHDCA; 1,4-cyclohexanedicarboxyl
TiO2 anatase's bulk and (001) surface, structural and electronic properties: A DFT study on the importance of Hubbard and van der Waals contributions
Keywords: VDW; DFT+U; vdW; Dispersion forces; TiO2; Anatase; (001) surface; CO2 adsorption;
β-N-oxalyl-L-α, β- diaminopropionic acid induces HRE expression by inhibiting HIF-prolyl hydroxylase-2 in normoxic conditions
Keywords: VDW; ATP; adenosine triphosphate; β-ODAP; β-N-oxalyl-L-α,β-diaminopropionic acid; DMOG; dimethyloxalylglycine; 1,4 DPCA; 1,4-dihydrophenonthrolin-4-one-3-carboxylic acid; D-ODAP; β-N-oxalyl-D-α,β-diaminopropionic acid; DTT; dithiothreitol; EDTA; ethylen
Design and synthesis of N-[6-(Substituted Aminoethylideneamino)-2-Hydroxyindan-1-yl]arylamides as selective and potent muscarinic M1 agonists
Keywords: VDW; KOQVBYSCBCRVQJ-SVUXJTORSA-N; GPCR; G protein-coupled receptors; CHO; Chinese hamster ovary; GTPγ35S; [35S]-guanosine-5â²-O-(3-thio)triphosphate; BOC; butoxycarbony; EC50; half maximal effective concentration of drug; pKa; log of acid dissociation consta
Access channels to the buried active site control substrate specificity in CYP1A P450 enzymes
Keywords: VDW; 9MAN; 9-methyl-anthracene; ANT; anthracene; BaP; benzo[a]pyrene; BCA; bicinchoninic acid; DMF; dimethylformamide; DPHE; 9,10-dihydrophenanthrene; EFEE; 7-ethoxy-fluorescein ethyl ester; EOR; 7-ethoxy-resorufin; LC; liquid chromatography; MDS; multidimensi
Impact of solvent models and van der Waals corrections on DFT geometric and 57Fe Mössbauer parameters of trans-[FeCl2(iPrOH)4]
Keywords: VDW; Iron(II) complex; DFT calculations; 57Fe Mössbauer parameters; COSMO; PCM; VDW
Protein engineering and the use of molecular modeling and simulation: The case of heterodimeric Fc engineering
Keywords: VDW; RMSD; root mean squared deviation; RMSF; root mean squared fluctuation; RDF; radial distribution function; SASA; solvent exposed surface area; CCSD; close contact surface density (ÎÏtot); KBP; knowledge based potential; LJ; Lennard-Jones contributions;
Influence of the geometrical properties of the carbon nanotubes on the interfacial behavior of epoxy/CNT composites: A molecular modelling approach
Keywords: VDW; AFM; atomic force microscope; CNT; carbon nanotube; DWCNT; double walled carbon nanotube; FEM; finite elements method; IFSS; interfacial shear strength; MD; molecular dynamics; MM; molecular mechanics; MS5.0; Materials studio 5.0; MWCNT; multiwalled carbo
Molecular architecture of mouse activating NKR-P1 receptors
Keywords: VDW; Clr; C-type lectin receptor; CTLD; C-type lectin like domain; DLS; dynamic light scattering; DSC; differential scanning calorimetry; DTT; dithiothreitol; EDC; 1-ethyl-3-(3â²-dimethylaminopropyl) carbodiimide; FT-MS; Fourier-transform mass spectrometry; I
UV-A and UV-C induced photolytic and photocatalytic degradation of aqueous ciprofloxacin and moxifloxacin: Reaction kinetics and role of adsorption
Keywords: VDW; AOP; advanced oxidation process; CIP; ciprofloxacin; CB; conduction band; DDD; defined daily dose; ESAC; European Surveillance of Antimicrobial Consumption; HPLC; high pressure liquid chromatography; ISC; inter system crossing; FQ; fluoroquinolone; MOX; m
Brazilian propolis-derived components inhibit TNF-α-mediated downregulation of adiponectin expression via different mechanisms in 3T3-L1 adipocytes
Keywords: VDW; aP2; adipocyte fatty acid-binding protein 4; EMM; molecular mechanics energy; FBS; fetal bovine serum; JNK; c-Jun-NH2-terminal kinase; MAPK; mitogen-activated protein kinase; MKK; mitogen-activated protein kinase kinase; MM-PBSA; molecular mechanics Poiss
Synthesis, biological evaluation and 3D-QSAR studies of 3-keto salicylic acid chalcones and related amides as novel HIV-1 integrase inhibitors
Keywords: VDW; HIV; human immunodeficiency virus; ST; strand transfer; FDA; food and drug administration; 3D-QSAR; three dimensional quantitative structure activity relationship; CoMFA; comparitive molecular field analysis; CoMSIA; comparative molecular similarity analy
Molecular dynamics of d(CGCGAATTCGCG)2 complexed with netropsin and its minor groove methylating analog, Me-lex, using explicit and implicit water models
Keywords: VDW; Me-lex; {1-methyl-4-[1-methyl-4-[3-(methoxysulfonyl)-propanamido]pyrrole-2-carboxamido]pyrrole-2-carboxamido}-propane; 3-MeA; N3-methyladenine; vdW; van der Waals; GB; generalized born; QM; quantum mechanical; MD; molecular dynamics; Me-lex; Netropsin; Ge
Automated NMR assignment and protein structure determination using sparse dipolar coupling constraints
Keywords: VDW; NMR; Nuclear Magnetic Resonance; ppm; parts per million; RMSD; mean square deviation; HSQC; heteronuclear single quantum coherence spectroscopy; NOE; Nuclear Overhauser Effect; RDC; residual dipolar coupling; PDB; Protein Data Bank; pol η; zinc finger do
Phase behavior of polypropylene + n-pentane and polypropylene + n-pentane + carbon dioxide: modeling with cubic and non-cubic equations of state
Keywords: VDW; CO2; carbon dioxide; EoS; equation of state; nC5; n-pentane; PC-SAFT; perturbed chain statistical associating fluid theory EoS; PP; polypropylene; PR; Peng-Robinson EoS; SCF; supercritical fluid; SL; Sánchez-Lacombe EoS; VdW; van der Waals; Polymers;
Crystal structure of the kainate receptor GluR5 ligand-binding core in complex with (S)-glutamate
Keywords: VDW; 4-AHCP; 2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]-4-isoxazolyl)propionate; AMPA; 2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionate; ATPA; 2-amino-3-(5-tert-butyl-3-hydroxy-4-isoxazolyl)propionate; E. coli; Escherichia coli; EDTA; ethylenediami
A free-volume term based on the van der Waals partition function for the UNIFAC model
Keywords: VDW; BR; butadiene rubber; EoS; equation of state; FV; free-volume; HDPE; high density polyethylene; PDMS; poly(dimethyl siloxane); PI; polyisoprene; PIB; polyisobutylene; PAA; poly(acrylic acid); PEO; poly(ethylene oxide); PMA; poly(methacrylic acid); PMMA; p
Development and application of a three-parameter RK-PR equation of state
Keywords: VDW; CS; Carnahan-Starling equation; 3P; three-parameter equation of state or density dependence; PC-SAFT; perturbed chain SAFT equation; PR; Peng-Robinson equation; RK; Redlich-Kwong equation; RK-PR; generalized Redlich-Kwong-Peng-Robinson equat