DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, SJ | - |
dc.contributor.author | Chung, HY | - |
dc.contributor.author | Kim, KS | - |
dc.date.accessioned | 2016-03-31T12:18:21Z | - |
dc.date.available | 2016-03-31T12:18:21Z | - |
dc.date.created | 2009-02-28 | - |
dc.date.issued | 2004-07-20 | - |
dc.identifier.issn | 0253-2964 | - |
dc.identifier.other | 2004-OAK-0000004462 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/17770 | - |
dc.description.abstract | Molecular visualization software has the common objective of manipulation and interpretation of data from numerical simulations. They visualize many complicated molecular structures with personal computer and workstation, to help analyze a large quantity of data produced by various computational methods. However, users are often discouraged from using these tools for visualization and analysis due to the difficult and complicated user interface. In this regard, we have developed an easy-to-use three-dimensional molecular visualization and analysis program named POSMOL. This has been developed on the Microsoft Windows platform for the easy and convenient user environment, as a compact program which reads outputs from various computational chemistry software without editing or changing data. The program animates vibration modes which are needed for locating minima and transition states in computational chemistry, draws two and three dimensional (2D and 3D) views of molecular orbitals (including their atomic orbital components and these partial sums) together with molecular systems, measures various geometrical parameters, and edits molecules and molecular structures. | - |
dc.description.statementofresponsibility | X | - |
dc.language | English | - |
dc.publisher | KOREAN CHEMICAL SOC | - |
dc.relation.isPartOf | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.subject | molecular program package | - |
dc.subject | molecular visualization | - |
dc.subject | molecular graphics | - |
dc.subject | molecular orbital density | - |
dc.subject | normal mode | - |
dc.subject | CATION-PI INTERACTIONS | - |
dc.subject | ELECTRONIC-STRUCTURES | - |
dc.subject | ENERGIES | - |
dc.subject | CLUSTERS | - |
dc.subject | WATER | - |
dc.subject | SPECTRA | - |
dc.subject | BOND | - |
dc.subject | SOLVENT | - |
dc.subject | SYSTEMS | - |
dc.subject | SILVER | - |
dc.title | An easy-to-use three-dimensional molecular visualization and analysis program: POSMOL | - |
dc.type | Article | - |
dc.contributor.college | 화학과 | - |
dc.identifier.doi | 10.5012/bkcs.2004.25.7.1061 | - |
dc.author.google | Lee, SJ | - |
dc.author.google | Chung, HY | - |
dc.author.google | Kim, KS | - |
dc.relation.volume | 25 | - |
dc.relation.issue | 7 | - |
dc.relation.startpage | 1061 | - |
dc.relation.lastpage | 1064 | - |
dc.contributor.id | 10051563 | - |
dc.relation.journal | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.relation.index | SCI급, SCOPUS 등재논문 | - |
dc.relation.sci | SCI | - |
dc.collections.name | Journal Papers | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.25, no.7, pp.1061 - 1064 | - |
dc.identifier.wosid | 000223135900023 | - |
dc.date.tcdate | 2019-01-01 | - |
dc.citation.endPage | 1064 | - |
dc.citation.number | 7 | - |
dc.citation.startPage | 1061 | - |
dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.volume | 25 | - |
dc.contributor.affiliatedAuthor | Kim, KS | - |
dc.identifier.scopusid | 2-s2.0-5444272427 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 57 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | CATION-PI INTERACTIONS | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURES | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | ENERGIES | - |
dc.subject.keywordPlus | CLUSTERS | - |
dc.subject.keywordPlus | WATER | - |
dc.subject.keywordPlus | SPECTRA | - |
dc.subject.keywordPlus | BOND | - |
dc.subject.keywordPlus | SOLVENT | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordAuthor | molecular program package | - |
dc.subject.keywordAuthor | molecular visualization | - |
dc.subject.keywordAuthor | molecular graphics | - |
dc.subject.keywordAuthor | molecular orbital density | - |
dc.subject.keywordAuthor | normal mode | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
dc.relation.journalResearchArea | Chemistry | - |
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