Results 101 to 110 of about 51,216 (341)
Cumhuriyet Science Journal, 2017 This work dealt with theinvestigation of the methyl 9H-pyrido[3,4-b]indole-3-carboxylate (Basiccompound) and its C1-substituted derivatives to search for the best substituentgroup that enhances the chemical reactivity behavior of the Basic compound ...
Mustafa Elik, Goncagül Serdaroğlu
doaj +1 more source
Effect of reconstituted method on shear strength properties of peat [PDF]
, 2017 Peat is an organic soil contains more than 75% organic content. Shear strength of the soil is one of the most important parameters in engineering design, especially during the pre-construction and post-construction periods, since used to evaluate the ...
Wahab, Norhaliza
core
, 2004 We perform molecular dynamics simulations to study lithium dynamics in a model of LiPO$_3$ glass at temperatures below the glass transition. A straightforward analysis of the ionic trajectories shows that lithium diffusion results from jumps between ...
Vogel, Michael
core +1 more source
Natural Bond Orbitals (NBO) visualization
, 2009 This is the second post on a series which will try to address common technical questions in computational chemistry that recursively appear on the CCL. The Natural Bond Orbitals analysis is a powerful tool in population analysis calculations which is more robust than the traditional Mulliken approach, if for no better reason because its almost ...
openaire +1 more source
Anode material NbO for Li-ion battery and its electrochemical properties
Rare Metals, 2018 The NbO electrode materials were successfully synthesized by high-temperature solid-phase method using Nb powders and Nb2O5 powders as raw materials. The crystalline structure, morphology, and electrochemical properties of the obtained materials were ...
Jian Li +5 more
semanticscholar +1 more source
Carbon Energy, EarlyView.This review presents a comprehensive summary and discussion of some optimization strategies for enhancing room‐temperature ionic conductivity of Na3Zr2Si2PO12 (NZSP) solid electrolyte for solid‐state sodium batteries, including foreign‐ion doping or substitution, sintering behavior modulation, and regulation of chemical composition based on precursors.
Jiawen Hu +5 more
wiley +1 more source
Viscosity and viscosity anomalies of model silicates and magmas: a numerical investigation
, 2012 We present results for transport properties (diffusion and viscosity) using computer simulations. Focus is made on a densified binary sodium disilicate 2SiO$_2$-Na$_2$O (NS2) liquid and on multicomponent magmatic liquids (MORB, basalt). In the NS2 liquid,
Bauchy, M. +3 more
core +1 more source
, 2014 Mieux comprendre les liens entre olfaction et prise alimentaire. La perception olfactive confère aux aliments une valeur hédonique, qui, en étant modulée par l’état nutritionnel, participe aux processus d’appétence et de satiété, par des mécanismes encore mal connus.
Denis, Isabelle +7 more
openaire +2 more sources
Bis‐Dichlorosilyl Functionalized C4‐Cumulene With Unique Bonding Scenario
Chemistry – A European Journal, EarlyView.Herein, we report a silylene‐functionalized C4‐cumulene (2) and investigate its bonding scenario employing computational methods such as NBO analysis, AIM, and energy decomposition analysis‐natural orbital for chemical valence (EDA‐NOCV). The EDA‐NOCV analysis showed that compound 2 prefers to possess electron‐sharing covalent sigma and dative covalent
Saroj Kumar Kushvaha +10 more
wiley +1 more source
, 2016 Poster describing efforts to integrate the Neuro Behavior Ontology and the Animal Behavior Ontology presented at SICB 2016.
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