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...as the [[nitration]] of conjugated systems from a [[Theoretical chemistry|theoretical perspective]]. ...lting in the equation:<ref>{{cite book |title=Progress in Physical Organic Chemistry |volume=2|last= Cohen|first= Saul |author2=Andrew Streitwieser |author3=Rob ...

...ch, J. Maruani, G. Delgado-Barrio and S. Wilson, ''Progress in Theoretical Chemistry and Physics'' '''19''', Springer (2009)</ref> [[Modern valence bond theory] [[Category:Theoretical chemistry]] ...

...struct [[Configuration state function]]s (CSFs) in computational [[quantum chemistry]]. As reflected in its name, the method uses the mathematical properties of ...78| last1=Shavitt| first1=Isaiah| journal=International Journal of Quantum Chemistry| volume=14| pages=5–32}}</ref> introduced the graphical aspect (GUGA) drawi ...

...r of atoms.<ref>{{cite book |title= The Vocabulary And Concepts Of Organic Chemistry|last= Orchin|first=Milton |year= 2005|publisher= John Wiley & Sons |isbn= 9 ...rties:<ref name=Jones>{{cite book |title= Physical and Mechanistic Organic Chemistry|last= Yardley Jones|first=Richard Arnold |year= 1979|publisher= Cambridge U ...

...e for chromatography (IUPAC Recommendations 1993)|journal=Pure and Applied Chemistry|volume=65|issue=4|year=1993|pages=819–872|issn=1365-3075|doi=10.1351/pac199 The [[theoretical plate]] height is given by ...

...%20R,approximation%20(CSDA)%20is%20assumed. |journal=Radiation Physics and Chemistry |volume=76 |issue=7 |pages=1089–1107 |doi=10.1016/j.radphyschem.2007.02.083 ...

The '''Purnell equation''' is an [[equation]] used in [[analytical chemistry]] to calculate the resolution ''R''_s between two peaks in a [[Ch ::''N''₂ is the [[theoretical plate|plate number]] of the second peak ...

...ures in the signal to their origin in morphology and electronic structure, theoretical modelling by [[density functional theory]] is required. [[Category:Analytical chemistry]] ...

{{Short description|Concept in chemistry}} | journal = Journal of Computational and Theoretical Nanoscience ...

...}}</ref> The mechanism reads as<ref>Poinsot, T., & Veynante, D. (2005). ''Theoretical and numerical combustion''. RT Edwards, Inc.</ref> ==Peters-Williams three-step chemistry== ...

In [[theoretical chemistry]], the '''Empirical Valence Bond''' ('''EVB''') approach is an approximatio ...ates are [[valence bond]] descriptions of the [[reactant]]s and [[Product (chemistry)|products]] of the reaction. The function that gives the [[Ground state|gro ...

|genre = [[Computational Chemistry]] ...of the exchange matrix with permutational symmetry | journal = Theoretical Chemistry Accounts: Theory, Computation, and Modeling | volume = 104 | issue = 5 | pa ...

In [[surface chemistry]], the '''Hertz–Knudsen equation''', also known as '''Knudsen–Langmuir''' e ...retical predictions (Knudsen noted that experimental fluxes are lower than theoretical fluxes)<ref name="Holyst2015">{{cite journal |last1=Holyst |first1=Robert | ...

{{short description|Field of chemistry which studies rates of electrochemical processes}} ...|last1=Atkins |first1=Peter |last2=de Paula |first2=Julio |title=Physical Chemistry |date=2002 |publisher=W. H. Freeman |isbn=0-7167-3539-3 |pages=1024–1029 |e ...

...url=https://pubmed.ncbi.nlm.nih.gov/9544199/ |journal=Journal of Medicinal Chemistry |volume=41 |issue=7 |pages=1007–1010 |doi=10.1021/jm970530e |issn=0022-2623 ...permm.phar.umich.edu/ Permm server and database], a computational tool for theoretical assessment of passive permeability of molecules across the lipid bilayer ...

...elated to the electrokinetic phenomena and consequently to the [[colloid]] chemistry. * [[Colloid chemistry]] ...

{{Short description|Theorem in quantum chemistry}} ...nd that the solution is a linear combination of pre-specified [[basis set (chemistry)|basis functions]]. ...

...e journal | vauthors = Lisurek M, Simgen B, Antes I, Bernhardt R | title = Theoretical and experimental evaluation of a CYP106A2 low homology model and production ...

In [[theoretical chemistry]], the '''Buckingham potential''' is a [[mathematical formula|formula]] pro ...proposed this as a simplification of the [[Lennard-Jones potential]], in a theoretical study of the [[equation of state]] for [[gas]]eous [[helium]], [[neon]] and ...

In [[physics]], [[chemistry]] and related fields, a '''kinetic scheme''' is a network of states and con ...ook | author=van Kampen, N. G. | title=Stochastic processes in physics and chemistry | url=https://archive.org/details/stochasticproces0000kamp | url-access=reg ...