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나노물질및화학반응연구단
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Prospect of retrieving vibrational wave function by single-object scattering sampling

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dc.contributor.authorHosung Ki-
dc.contributor.authorKyung Hwan Kim-
dc.contributor.authorKim J.-
dc.contributor.authorLee J.H.-
dc.contributor.authorKim J.-
dc.contributor.authorIhee , Hyot Cherl-
dc.date.available2015-04-20T06:39:08Z-
dc.date.created2014-09-11-
dc.date.issued2013-10-
dc.identifier.issn1948-7185-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/1232-
dc.description.abstractThe exact shape of wave functions has never been directly measured because an ensemble measurement is often overwhelmed by the contributions of highly populated configurations. In this work, we explore the possibility of directly obtaining vibrational wave functions by single-object scattering sampling (SOSS) using intense, ultrashort X-ray pulses provided by X-ray free electron lasers. Previously, single-molecule diffraction experiments using femtosecond X-ray pulses have been proposed with the prospect of determining three-dimensional structure of macromolecules without the need of single-crystal samples. In contrast to the previous proposals, SOSS is designed for obtaining the structural variations of constantly fluctuating molecules by sampling many single-shot, single-object scattering patterns. From the simulations on iodine molecules adopting various pulse characteristics and molecular parameters, we were able to reconstruct vibrational wave functions of molecular iodine and found that SOSS is feasible under appropriate experimental conditions. © 2013 American Chemical Society.-
dc.description.uri1-
dc.language영어-
dc.publisherAMER CHEMICAL SOC-
dc.subjectExperimental conditions-
dc.subjectFemtosecond X-ray pulse-
dc.subjectSingle object-
dc.subjectSingle-molecule studies-
dc.subjectThree-dimensional structure-
dc.subjectTransition state-
dc.subjectVibrational wave functions-
dc.subjectX-ray free electron lasers-
dc.subjectCrystal structure-
dc.subjectFree electron lasers-
dc.subjectMolecules-
dc.subjectScattering-
dc.subjectX ray diffraction-
dc.subjectWave functions-
dc.titleProspect of retrieving vibrational wave function by single-object scattering sampling-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000326300800026-
dc.identifier.scopusid2-s2.0-84885156627-
dc.identifier.rimsid53944ko
dc.date.tcdate2018-10-01-
dc.contributor.affiliatedAuthorHosung Ki-
dc.contributor.affiliatedAuthorKyung Hwan Kim-
dc.contributor.affiliatedAuthorIhee , Hyot Cherl-
dc.identifier.doi10.1021/jz4016298-
dc.identifier.bibliographicCitationJOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.4, no.19, pp.3345 - 3350-
dc.citation.titleJOURNAL OF PHYSICAL CHEMISTRY LETTERS-
dc.citation.volume4-
dc.citation.number19-
dc.citation.startPage3345-
dc.citation.endPage3350-
dc.date.scptcdate2018-10-01-
dc.description.wostc2-
dc.description.scptc2-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.subject.keywordAuthorsingle object scattering sampling-
dc.subject.keywordAuthorsingle-molecule studies-
dc.subject.keywordAuthortransition state-
dc.subject.keywordAuthorwave function-
dc.subject.keywordAuthorX-ray diffraction-
Appears in Collections:
Center for Nanomaterials and Chemical Reactions(나노물질 및 화학반응 연구단) > 1. Journal Papers (저널논문)
Files in This Item:
36_IBS CA1301-1_JPhysical Chemistry Letters_4_01_3345_Prospect of Retrieving Vibrational Wave Function by Single-Object(on-line).pdfDownload

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