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...ial, for example [[interatomic potential]]s in physics and [[computational chemistry]] that use approximations like the [[Lennard-Jones potential|Lennard-Jones] == Computational cost == ...

<ref>Theoretical and Computational Chemistry, 1999, Ideas of Quantum Chemistry, 2007 and Quantum Magnetic Resonance Imaging Diagnostics of Human Brain Dis ...

[[File:Schablone Logarex 25524-S, Chemie II.jpg|thumb|Chemistry stencils that used to be used for drawing equipment in lab notebooks.]] ...ple Rules for a Computational Biologist's Laboratory Notebook|journal=PLOS Computational Biology|volume=11|issue=9|pages=e1004385|doi=10.1371/journal.pcbi.1004385|p ...

...), is the application of one or more of [[environmental science]], [[green chemistry]], [[environmental monitoring]] and [[Electronics|electronic]] devices to m ==Computational sustainability== ...

...w commonly used for calculating long-range interactions in [[computational chemistry]]. Ewald summation is a special case of the [[Poisson summation formula]], ...e truncated with little loss of accuracy and great improvement in required computational time. To evaluate the Fourier transform <math>\tilde{\rho}(\mathbf{k})</ma ...

...13=Leone |first13=Paola E. |last14=Paz-y-Miño |first14=César |journal=PLOS Computational Biology |volume=15 |issue=5 |pages=e1006918 |pmc=6508581 }}</ref><ref name= | title = The status of electronic laboratory notebooks for chemistry and biology ...

...mid=27987027 | volume=409 | issue=7 | journal=Analytical and Bioanalytical Chemistry | pages=1729–1735 | year=2016 | last1 = McEachran | first1 = Andrew D. | la ...ms, even if we know initial conditions fairly well, measurement errors and computational limitations render fully correct long-term prediction impossible, hence gua ...

...energy is related to but distinct from the notion of [[molar energy]] in [[chemistry]], that is energy per [[mole (unit)|mole]] of a substance, which uses units ...ooks.google.com/books?id=aJn6UBl2YCwC&pg=PA1238 "Handbook of Computational Chemistry"]. Springer, 1430 pages. {{ISBN|940070710X}} ...

...ent per [[unit cell]].<ref name=":0">{{Cite book|title=The CRC Handbook of Chemistry and Physics|last=Lide|first=David|publisher=The Chemical Rubber Publishing ...be expressed generally<ref name=Atkins>{{cite book|title=Atkins' Physical Chemistry|year=2010|publisher=[[Oxford University Press]]|isbn=978-0-19-954337-3|page ...

...stress and surface free energy of liquid–gas or liquid–liquid [[Interface (chemistry)|interface]] are the same, they are very different in solid–gas or solid–so ...hod turned out to be difficult since it requires a complete [[Homogeneous (chemistry)|homogeneous]] [[single crystal]] surface. An alternative way to measure [[ ...

...arth, including its formation and development, and the evolution, physics, chemistry, meteorology, and motion of celestial objects (such as galaxies, planets, e * [[Computational physics]] – study and implementation of numerical algorithms to solve probl ...

...n analysis]] &ndash; draws on the scientific disciplines of [[biology]], [[chemistry]], [[mathematics]] and [[physics]] to ascertain the details and sequence of * [[Forensic chemistry]] &ndash; study of detection and identification of illicit drugs, acceleran ...

...=Chemical Sensors|url=https://doi.org/10.1021/a1980010w|journal=Analytical Chemistry|volume=70|issue=12|pages=179–208|doi=10.1021/a1980010w|issn=0003-2700}}</re ...Based on Both Biomimetic Recognition and Chemometrics|journal=Frontiers in Chemistry|language=English|volume=6|page=268|doi=10.3389/fchem.2018.00268|pmid=301283 ...

* [[American Chemistry Council]] Nanotechnology Panel * [[Network for Computational Nanotechnology]] at [[Purdue University]] hosting ...

...)|absorption bands]] of [[optical activity|optically active]] [[chirality (chemistry)|chiral]] molecules. CD [[spectroscopy]] has a wide range of applications i ...rized light itself is "chiral", it interacts differently with [[chirality (chemistry)|chiral molecules]]. That is, the two types of circularly polarized light a ...

...e-field model for electrode reactions with Butler–Volmer kinetics| journal=Computational Materials Science| volume=50|issue=1|pages=118–124| doi=10.1016/j.commatsci ...li O157:H7 Using Electrochemical Impedance Spectroscopy|journal=Analytical Chemistry|date=2002|volume=74|issue=18|pages=4814–4820|doi=10.1021/ac025647b|pmid=123 ...

* Chemical engineering in 1961 (split from chemistry) ...an interdisciplinary program.<ref>{{Cite web |title=Stanford Institute for Computational & Mathematical Engineering |url=https://icme.stanford.edu/ |website=icme.st ...

...ld involve combining physical principles demonstrated by [[biophysics]], [[chemistry]], other nanotechnologies, and the [[Biological machine|molecular machinery While conventional chemistry uses inexact processes obtaining inexact results, and biology exploits inex ...

...eatment. Conservation science includes aspects of [[materials science]], [[chemistry]], [[physics]], [[biology]], and [[engineering]], as well as [[art history] ...t1=Eric|last2=Jones|first2=Mark|date=2007-10-31|publisher=Royal Society of Chemistry|isbn=978-1-84755-762-9|language=en}}</ref> Diagnosing the current state in ...

** [[Wolfram Alpha]] &ndash; computational knowledge engine or answer engine developed by Wolfram Research *** [[Outline of chemistry|Chemistry]] ...