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{{Short description|Pictorial computational technique in quantum chemistry}} ...eger|publisher=Elsevier|page=97|year=2004|volume=14|series=Theoretical and Computational Chemistry|isbn=978-0-08-054047-4|url=https://books.google.com/books?id=VEKd ...

...idation of unknowns in computational [[metabolomics]], a current area of [[computational biology]]. ...Steinbeck |first2=Christoph |title=Chemical graph generators |journal=PLOS Computational Biology |date=5 January 2021 |volume=17 |issue=1 |pages=e1008504 |doi=10.13 ...

...to check whether something unexpected is going on in a very broad range of computational model ''worlds'' or ''universes''". Another paper authored by a group of chemists and planetary scientists published in the ''Journal of the Royal Society In ...

...ion products, see text). The dotted line from :Nu to plane I indicates the computational process of [[Projection (mathematics)|mathematically projecting]] the geome ...g Flippin–Lodge angles in synthetic chemistry have improved the ability of chemists to predict outcomes of known reactions, and to design better reactions to p ...

.../(sici)1096-987x(19980430)19:6<628::aid-jcc5>3.0.co;2-t|journal=Journal of Computational Chemistry|volume=19|issue=6|pages=628–646|doi=10.1002/(sici)1096-987x(19980 ...org/oclc/840819522|title=From Physical Chemistry to Quantum Chemistry: How Chemists Dealt with Mathematics|date=2012|publisher=HYLE Publications, Berlin|oclc=8 ...

...or some (or all) initial conditions. Similar questions are of interests to chemists and biochemists, i.e. if a given reactant was present to start with, can it ...ere developed further into the methods of slow [[invariant manifold]]s and computational [[singular perturbation]]. The methods of limiting steps gave rise to many ...

...possible role as intermediates of [[borane]] pyrolysis motivated extensive computational studies by [[theoretical chemist]]s.<ref>{{Cite journal|last1=McKee|first1= ...lopropenyl derivatives has been analyzed with a variety of techniques in [[computational chemistry]]. These have ranged from canonical [[molecular orbital theory]] ...

...e=8 |issue=1 |pages=135–140 |doi=10.1021/ct200727z |issn=1549-9618}}</ref> Computational work has indicated that the incorporation of pnictogens to the [[Tetrahedro Computational studies into mixed pnictogen-[[Carbon group|tetrel]] tetrahedranes have sug ...

...or ordinary differential equations in the 20th century |journal=Journal of Computational and Applied Mathematics |series=Numerical Analysis 2000. Vol. VI: Ordinary ...]] (weather modeling), [[chemistry]] (reaction rates),<ref>Mathematics for Chemists, D.M. Hirst, [[Macmillan Publishers|Macmillan Press]], 1976, (No ISBN) SBN: ...

*'''[[Alexander Razborov]]''', [[mathematician]] and [[computational theorist]] who won the [[Nevanlinna Prize]] in 1990 and the [[Gödel Prize]] ==Chemists and material scientists== ...

...e in a spreadsheet.<ref>{{cite book|last=Billo|first=E. J.|title=Excel for Chemists: A comprehensive guide|publisher=Wiley-VCH|year=1997|edition=2nd|chapter=Ch ...UAD<ref>{{cite book|last1=Zekany|first1=L.|last2=Nagypál|first2= I. |title=Computational methods for the determination of formation constants|editor=Leggett|publish ...

...the [[eta (letter)|Greek letter eta]] (<math>\eta</math>) is also used by chemists, physicists, and the [[IUPAC]].{{sfn|Nič|Jirát|Košata|Jenkins|1997|p=}} The ...Equilibrium Molecular Dynamics [Article v1.0] | journal=Living Journal of Computational Molecular Science | publisher=University of Colorado at Boulder | volume=1 ...

:This [[stain]] repellent and [[durable water repellent]] was co-invented by chemists [[Patsy Sherman]] and [[Samuel Smith (chemist)|Samuel Smith]] while working ...me algorithms for the solution of the complete eigenvalue problem," ''USSR Computational Mathematics and Mathematical Physics'', vol. 1, no. 3, pages 637–657 (1963, ...

...ary establishments to recruit women into engineering, and mathematical and computational research.{{R|1="Barrow‑Green 2014"|p1=116|2="Horrocks 2019"|p2=10}} In the ...publish papers in applied mathematics and contribute to papers on emerging computational technologies. In "{{Citeref|Dent|1935|On observations of points connected b ...

Theoretical and computational sciences are highly developed in Iran.<ref name="iran-daily.com">{{cite web ...April 2015 |url-status=live }}</ref> A few PhD programs in cognitive and [[computational neuroscience]] have been established in the country during recent decades.< ...

...er, including all disciplines simultaneously significantly increases the [[computational complexity theory|complexity]] of the problem.}} ...ciences. Scientists of all disciplines use the ideas of physics, including chemists who study the structure of molecules, paleontologists who try to reconstruc ...