Molecular Structure
Top PDF Molecular Structure:
MOLECULAR STRUCTURE OF DI-ARYL-ALDIMINES BY MULTINUCLEAR MAGNETIC RESONANCE AND X-RAY DIFFRACTION
... X-ray structure of the 3-pyridine derivative 3e showed that, in this case, the nitrogen of the aromatic group and the nitrogen of the imine group are cis ...
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Molecular Structure and Bonding in Plutonium Carbides: A Theoretical Study of PuC3
... 7 ABSTRACT: The most relevant species of plutonium tricarbide 8 were characterized using theoretical methods. The global minimum is 9 predicted to be a fan structure where the plutonium atom is bonded 10 to a ...
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![Monopentamethylcyclopentadienyl isocyanide, amine and imido tantalum(V) complexes X ray crystal structure of [TaCp*Cl4(CN 2,6 Me2C6H3)]](https://data02.123doks.com/thumbv2/123dok_es/000/356/356978/cover.webp)
Monopentamethylcyclopentadienyl isocyanide, amine and imido tantalum(V) complexes X ray crystal structure of [TaCp*Cl4(CN 2,6 Me2C6H3)]
... amine and imido ligands, the reduction to the tantalumII1 derivative [TaCp*Cl,ICN2,6-Me,C,H,],], characterization of the new complexes by IR and NMR and the molecular structure of spectr[r] ...
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Toolsmith-CACM.pdf
... Table 2 shows some computer science results just from our work with molecular structure chemists.. A pretty side effect is that the polygon simplification algo- rithm developed for molec[r] ...
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Pentamethylcyclopentadienyl halo and alkyl alkoxo tantalum(V) complexes Crystal structure of TaCp*(CH2SiMe3) 2{η2 O(2 CH2 6 MeC6H3)}
... In this paper we report the results observed in the reactions of different alkaline alkoxides and phenols with TaCp" 0 4 and TaCp' CHzSiMe~zCHSiMe~, and the X-ray molecular structure of [r] ...
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![Stereoselective synthesis and reactivity of cis and trans dimolybdenum nitrosyl derivatives with the bridging bis(dimethylsilanediyl)di(η5 cyclopentadienyl) ligand X ray molecular structures of cis [{Mo(CO)2(NO)}2(μ (η5 C5H3)2(SiMe2)2}], trans [(Mo(CO)](https://data02.123doks.com/thumbv2/123dok_es/000/359/359905/cover.webp)
Stereoselective synthesis and reactivity of cis and trans dimolybdenum nitrosyl derivatives with the bridging bis(dimethylsilanediyl)di(η5 cyclopentadienyl) ligand X ray molecular structures of cis [{Mo(CO)2(NO)}2(μ (η5 C5H3)2(SiMe2)2}], trans [(Mo(CO)(NO)(CNtBu)}2(μ (η5 C5H3)2(SiMe2)2}], cis [{Mo2(CO)3(NO)2(PMe3)}{μ (η5 C 5H3)2(SiMe2)2}] and trans [{Mo(NO)(CNtBu)2}2(μ (η5 C5H3)2(SiMe2)2}]
... The molecular structure of trans-8 determined by X-ray diffraction analysis shows a linear disposition of the nitrosyl groups although the observed vNO is 1566 cm -1, lower than the vNO [r] ...
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TítuloEvolutionary computation and QSAR research
... virtual molecular filtering and screening relies greatly on quantitative structure- activity relationship (QSAR) analysis, a mathematical model that correlates the activity of a molecule with ...
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Synthesis and reactivity of oxametallacyclic niobium compounds by using α,ß unsaturated carbonyl ligands
... internal carbon atom suggested higher s character (J ≈ 180 Hz in 2b and 3b, J = 162 Hz for free MMA), consistent with the metallacyclic disposition of the MA ligands. The poor yield and the lack of purity of the mesityl ...
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Environmental toxicity prediction using computational tools: prediction of potential hazardous effects of chemicals in Lactuca sativa seed germination
... quantitative structure-activity/toxicity relationships (QSAR/QSTR) studies provide an invaluable tool in the prediction of environmental toxicity directly from the molecular structure of compounds ...
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Structure-toxicity relationships for aliphatic compounds based on Correlation Weighting of Local Graph Invariants
... where the response R is the magnitude of measured pharmacological/toxicological effect produced by a molecule under in vitro or in vivo conditions and p represents either an empirical property or a theoretical parameter ...
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TítuloMolecular organization and phylogenetic analysis of 5S rDNA in crustaceans of the genus "Pollicipes" reveal birth and death evolution and strong purifying selection
... secondary structure predic- tion were those classified as b or ...general structure, consistent with metazoan and plant 5S ...alternative structure can be observed in helix IV (as shown in ...
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Examen PAU (Septiembre) (solución) pdf
... Como la masa molecular de la fórmula empírica es: 5x12 + 12x1 + 1x16 = 88, y por lo tanto coincide con la masa molecular obtenida 88 en consecuencia la fórmula molecular coincide con [r] ...
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A crystalline sponge based on dispersive forces suitable for X ray structure determination of included molecular guests
... the molecular volume of Z-stilbene of 216 ˚ A 3 , approaching the maximum available void volume of 274 ˚ A 3 per macrocycle calculated using PLATON/Squeeze, 17 suggested us a ...
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Molecular and electronic structure of sandwich polyoxometalates type a Keggin
... It is now evident that the quality of the results that can be obtained using the KS formalism depending on the approach we use forΕ !" [!(!)]. There is no strategy that can continue to obtain precisely the exchange ...
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![Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate](https://data02.123doks.com/thumbv2/123dok_es/000/081/81529/cover.webp)
Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate
... In (I), the CÐC bond distances within the aryl ring fall in the range 1.381 (3)±1.400 (3) A Ê , consistent with essentially unperturbed aromatic delocalization, while the remaining bond distances are all typical of their ...
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TítuloSexado molecular en la corneja negra ("Corvus corone")
... €/muestra. Dicho importe podría rebajarse en 2,58 € si los resultados no fuesen enviados a Bioanalizador, sino simplemente registrados en gel de agarosa al 3%. A dicho importe habría de sumársele el coste de personal. ...
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Dynamical structure of the molecular interstellar medium in an extremely bright, multiply lensed z 3 submillimeter galaxy discovered with Herschel
... velocity structure of the gas reservoir suggests that the brightest two lensed images are dynamically resolved projections of the same dust-obscured region in the galaxy that are kinematically offset from the ...
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cv_max_chavarria.docx
... Escuela de Química & Centro de Investigaciones en Productos Naturales (CIPRONA) Universidad de Costa Rica (UCR).. Sede Rodrigo Facio, San Pedro de Montes de Oca San José, 2060, Costa[r] ...
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Molecular and structural modeling of the Phanerochaete flavido alba extracellular laccase reveals its ferroxidase structure
... This work presents several thermoluminescence TL dates of six archaeological sites located in the Andean valley of the Chacabuco River, central Patagonia.. We discuss the advantages of t[r] ...
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Application of molecular simulation techniques to the design of nanosystems
... the molecular level, necessitating the tuning of the structural and physicochemical features of its molecular ...the molecular machinery that makes life possible is inherently based on self assembled ...
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