計算機化学
- 関
- computational chemistry
WordNet
- the way two individuals relate to each other; "their chemistry was wrong from the beginning -- they hated each other"; "a mysterious alchemy brought them together" (同)interpersonal chemistry, alchemy
- the chemical composition and properties of a substance or object; "the chemistry of soil"
- the science of matter; the branch of the natural sciences dealing with the composition of substances and their properties and reactions (同)chemical science
- a machine for performing calculations automatically (同)computing machine, computing device, data processor, electronic computer, information processing system
- a scientist who specializes in chemistry
PrepTutorEJDIC
- 『化学』 / 化学的性質,化学反応,化学作用
- 『計算機』;『電子計算機』
- …'を'計算する,見積もる / 計算する,算定する
- 『化学者』 / 《英》=pharmacist
Wikipedia preview
出典(authority):フリー百科事典『ウィキペディア(Wikipedia)』「2013/11/12 17:22:57」(JST)
[Wiki en表示]
Computer chemistry can refer to:
- Computational chemistry
- Mathematical chemistry
- Chemoinformatics
- Computer & Chemistry (journal)
UpToDate Contents
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English Journal
- Effect of Graphene Oxide on the Properties of Porous Silicon.
- Olenych IB1, Aksimentyeva OI2, Monastyrskii LS3, Horbenko YY4, Partyka MV5, Luchechko AP6, Yarytska LI7.
- Nanoscale research letters.Nanoscale Res Lett.2016 Dec;11(1):43. doi: 10.1186/s11671-016-1264-5. Epub 2016 Feb 1.
- We studied an effect of the graphene oxide (GO) layer on the optical and electrical properties of porous silicon (PS) in hybrid PS-GO structure created by electrochemical etching of silicon wafer and deposition of GO from water dispersion on PS. With the help of scanning electron microscopy (SEM), a
- PMID 26831681
- Molecular dynamics simulations data of the twenty encoded amino acids in different force fields.
- Vitalini F1, Noé F2, Keller BG1.
- Data in brief.Data Brief.2016 Mar 9;7:582-90. doi: 10.1016/j.dib.2016.02.086. eCollection 2016.
- We present extensive all-atom Molecular Dynamics (MD) simulation data of the twenty encoded amino acids in explicit water, simulated with different force fields. The termini of the amino acids have been capped to ensure that the dynamics of the Φ and ψ torsion angles are analogues to the dynamics
- PMID 27054161
- Hydrothermal carbonization of biomass from landscape management - Influence of process parameters on soil properties of hydrochars.
- Röhrdanz M1, Rebling T2, Ohlert J3, Jasper J4, Greve T3, Buchwald R4, von Frieling P2, Wark M3.
- Journal of environmental management.J Environ Manage.2016 May 15;173:72-8. doi: 10.1016/j.jenvman.2016.03.006. Epub 2016 Mar 11.
- Besides pyrolysis the technology of hydrothermal carbonization (HTC) is tested to produce hydrochars for soil improvement. The chemical and physical properties of the hydrochars mainly depend on the feedstock and the process parameters reaction time and process temperature. Systematic investigations
- PMID 26974240
Japanese Journal
- TD DFT法によるOHBAの吸光・発光スペクトルの理論的研究
- 実空間実時間のTDDFTによる11-cis型レチナールの光吸収スペクトルの解析
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- Journal of Computer Chemistry, Japan Vol. 14(2015) No. 3 日本コンピュータ化学会2015 春季年会精選論文特集号 巻頭言 研究するということと楽しむこと 善甫 康成 公開日: 2015年09月25日 p.A21 全文HTML 速報 分割統治型密度汎 ...
★リンクテーブル★
[★]
- 英
- computer chemistry、computational chemistry
- 関
- 計算化学
[★]
計算化学、計算機化学
- 関
- computer chemistry
[★]
- 計算する、算出する、コンピュータ処理する、コンピュータ化する
- 関
- calculate、calculation、computation、computerization、computerize
[★]
- 関
- in silico
[★]
- 関
- chem、chemical、chemo
[★]