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...y]]. As reflected in its name, the method uses the mathematical properties of the [[unitary group]]. ...=Unitary-group approach to the many-electron correlation problem: Relation of Gelfand and Weyl tableau formulations| year=1976| last1=Paldus| first1=Jose ...

...ex |url=https://pubs.acs.org/doi/10.1021/acs.jctc.1c01011 |journal=Journal of Chemical Theory and Computation |language=en |volume=18 |issue=1 |pages=309 ...ations |url=https://pubs.acs.org/doi/abs/10.1021/ed065p45 |journal=Journal of Chemical Education |language=en |volume=65 |issue=1 |pages=45 |doi=10.1021/ ...

{{short description|Class of computational fluid dynamics methods}} ...ties in concept, but it relies on fixed abscissas whereas quadrature-based methods are more adaptive. Additionally, the [[Navier–Stokes equations]](N-S) can b ...

A '''group-contribution method''' in [[chemistry]] is a technique to estimate and predict thermodynamic and other properties ...ch120810.html |archive-date=2011-04-28}} </ref> but many of these are only of scientific interest. ...

| caption =Snapshot of Newton-X main menu. ...toexcited molecules. It has also been used for simulation of band envelops of [[Absorption spectroscopy|absorption]] and [[Emission spectrum (fluorescenc ...

...ng Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena", A. Klamt, J. Phys. Chem., 99, 2224-2235 (1995), DOI: ...antum chemistry]] based equilibrium thermodynamics method with the purpose of predicting [[chemical potential]]s μ in liquids. ...

...tate, computing the transition probabilities to the target states for each of these geometries, and performing a sum over all these transitions convolute ...teps.|thumb|NEA simulates the spectrum in three steps: firstly an ensemble of molecular geometries is generated. 2)Secondly the transition probability be ...

{{Short description|Type of nanostructure}} ...t.com/science/article/pii/S0020722522001112 |journal=International Journal of Engineering Science |language=en |volume=180 |pages=103747 |doi=10.1016/j.i ...

{{Short description|Area of applied mathematics}} ...nity, mainly due to its applications in [[biochemistry]] and [[theoretical chemistry]]. It has also attracted interest from [[pure mathematics|pure mathematicia ...

...al Concepts|url=https://pubs.acs.org/doi/10.1021/ct400687b|journal=Journal of Chemical Theory and Computation|language=en|volume=9|issue=11|pages=4834–48 ...edding: The case of water on graphitic carbon nitride |journal=The Journal of Chemical Physics |date=28 December 2021 |volume=155 |issue=24 |doi=10.1063/ ...

...elucidation of unknowns in computational [[metabolomics]], a current area of [[computational biology]]. ...res of a caffeine molecule are given, '''(A)''' and '''(B)'''. The overlap of these substructures is highlighted in green in the caffeine structure '''(C ...

....html Potassium-Calcium Isochrons]. In: HyperPhysics site.</ref> This form of [[radioactive decay]] is accomplished through [[beta decay]]. ...1>Ahrens., L.H. The feasibility of a calcium method for the determination of geological age. Geochim. Cosmochim. Acta, 1 (1951), pp.&nbsp;312–316.</ref ...

{{short description|Form of spectroscopy employed in physics, chemistry, biology, and other fields}} ...his spectral fingerprint differs from those obtained by other spectroscopy methods, such as Rayleigh scattering, as the Raman transitions confer different exc ...

...statement, Christoph Cremer is a member of the [[Max Planck Institute for Chemistry]] (Otto Hahn Institute) and the [[Max Planck Institute for Polymer Research ...rations marked with conventional fluorescent dyes and reaches a resolution of 10&nbsp;nm in 2D and 40&nbsp;nm in 3D. ...

...nga |first4=Ben L. |date=2010 |title=Spontaneous generation and patterning of chiral polymeric surface toroids |url=http://xlink.rsc.org/?DOI=c0sc00159g ...|polypropylene (PP)]]. Polymer surfaces have been analyzed using a variety of techniques, including: scanning electron microscopy, scanning tunneling mic ...

..., and contains five-fold symmetries. They have been analyzed in many areas of science including [[crystal growth]], [[crystallography]], [[chemical physi ...ite journal |last=Hofmeister |first=H. |date=1998 |title=Forty Years Study of Fivefold Twinned Structures in Small Particles and Thin Films |url= |journa ...

...ructural failure|structural collapse]] behavior passing through all stages of loading: elastic, [[Crack propagation|crack initiation and propagation]] in ...sity of Missouri-Rolla, TSWG Contract Number N4175-05-R-4828, Final Report of Task 1| location = Japan | year = 2005 | id = <!-- | accessdate = 2009-08-1 ...

...t influence the outcome of a decision, and contributes to an understanding of adaptations. The approach based on optimality models in biology is sometime ...efined as the variable that is intended to be maximized (ex. food per unit of energy expenditure). It is the driving factor behind an action and usually ...

...eous catalysis|heterogeneous catalysts]]. They are variants of the [[Wulff construction]] which is used for a solid single crystal in isolation.<ref name=":1" /> T ...3=Ringe |first3=Emilie |date=2021 |title=Approaches to modelling the shape of nanocrystals |journal=Nano Convergence |language=en |volume=8 |issue=1 |pag ...

...rt description|Transport of substances between two fractions with the help of permeable membranes}} ...pharmaceuticals, biotechnology, the food industry, as well as the removal of environmental pollutants. ...