Molecular hydrogen (H2 ) is an atmospheric trace gas with a large microbe-mediated soil sink, yet cycling of this compound throughout ecosystems is poorly understood. Measurements of the sources and sinks of H2 in various ecosystems are sparse, resulting in large uncertainties in the global H2 budget. Constraining the H2 cycle is critical to understanding its role in atmospheric chemistry and c...

in this paper we have down three theoretical study by using monte carlo simulation and mm+,amber and opls force field. the calculations were carried out using hyper chem professional,release 7.01 package of program. first we have studied the interaction of h2 molecule and he atomwith single-walled carbon nanotube at different temperature. for doing this study we placed h2 andhe in the center an...

The cyclometallated tantalum(v) hydride complex {ArNC(Me)CHC(Me)N[2-(CHMeCH2)-6-(i)Pr-C6H3]}Ta(N(t)Bu)H (2) was prepared from hydrogenolysis of (BDI)TaN(t)BuMe2 (BDI = N,N'-diaryl-β-diketiminate, aryl = 2,6-(i)Pr2-C6H3). Based on mechanistic studies, formation of 2 likely proceeds through a dihydride intermediate generated from successive σ-bond metathesis steps. Compound 2 was found to undergo...

equilibrium adsorption property of multi-walled carbon nanotubes with oh group was studied using experimental design for the adsorption of co2 , ch4 and h2 . the effect of temperature, pressure, their binary interactions and quadratic terms were studied for adsorption capacity of nanotubes and the results were analyzed by the face centered central composite design method and analysis of varianc...

This work shows the application of a validated mathematical model for gas permeation at high temperatures focusing on demonstrated scale-up design for H2 processing. The model considered the driving force variation with spatial coordinates and the mass transfer across the molecular sieve cobalt oxide silica membrane to predict the separation performance. The model was used to study the process ...

This paper provides new insights into the currently available extended linear matrix inequality (LMI) conditions for control of discrete-time linear systems, motivating the use of two intrinsically different extended LMI characterizations for H2 performance. While these conditions are equivalent for H2 analysis and many H2 control problems related to precisely known linear time-invariant (LTI) ...

Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of referenc...

We report the syntheses, electronic properties, andmolecular structures of a series of monoand dinuclear uranium(IV) hydrochalcogenido complexes supported by the sterically demanding but very flexible, single N-anchored tris(aryloxide) ligand (ArO)3N) 3 . The mononuclear complexes [((ArO)3N)U(DME)(EH)] (E 1⁄4 S, Se, Te) can be obtained from the reaction of the uranium(III) starting material [((...