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Proceedings of the 2021 International Symposium on Molecular Spectroscopy最新文献

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REACTION RATE MODELING TO OPTIMIZE O(1D) INSERTION INTO METHYLAMINE FOR THE DETECTION OF AMINOMETHANOL 反应速率建模优化o (1d)插入甲胺检测氨基甲醇
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.fc09
Hayley A Bunn, S. W. Widicus Weaver, Christopher Jernigan, Ch. Schultz
{"title":"REACTION RATE MODELING TO OPTIMIZE O(1D) INSERTION INTO METHYLAMINE FOR THE DETECTION OF AMINOMETHANOL","authors":"Hayley A Bunn, S. W. Widicus Weaver, Christopher Jernigan, Ch. Schultz","doi":"10.15278/isms.2021.fc09","DOIUrl":"https://doi.org/10.15278/isms.2021.fc09","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"31 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73770380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
INTRAMOLECULAR INTERACTIONS WITHIN 1- AND 2-NAPHTHOL: A ROTATIONAL SPECTROSCOPIC AND THEORETICAL STUDY 1-萘酚和2-萘酚分子内相互作用:旋转光谱和理论研究
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.rk08
Arsh S. Hazrah, W. Jäger, E. Kraka, Nathan A. Seifert, Sadisha Nanayakkara
{"title":"INTRAMOLECULAR INTERACTIONS WITHIN 1- AND 2-NAPHTHOL: A ROTATIONAL SPECTROSCOPIC AND THEORETICAL STUDY","authors":"Arsh S. Hazrah, W. Jäger, E. Kraka, Nathan A. Seifert, Sadisha Nanayakkara","doi":"10.15278/isms.2021.rk08","DOIUrl":"https://doi.org/10.15278/isms.2021.rk08","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"76 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72704700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
XANES SPECTRA OF VANADIUM COMPLEXES CALCULATED BY TWO TDDFT METHODS 用两种TDDFT方法计算钒配合物的Xanes光谱
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.we10
Jun Yi, Zhou Lin
{"title":"XANES SPECTRA OF VANADIUM COMPLEXES CALCULATED BY TWO TDDFT METHODS","authors":"Jun Yi, Zhou Lin","doi":"10.15278/isms.2021.we10","DOIUrl":"https://doi.org/10.15278/isms.2021.we10","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"57 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79450835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
STRUCTURE AND INTERNAL MOTIONS OF THE PROPARGYL ALCOHOL-WATER COMPLEX 丙炔醇-水络合物的结构和内部运动
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.rk03
S. Gnanasekar, E. Arunan
{"title":"STRUCTURE AND INTERNAL MOTIONS OF THE PROPARGYL ALCOHOL-WATER COMPLEX","authors":"S. Gnanasekar, E. Arunan","doi":"10.15278/isms.2021.rk03","DOIUrl":"https://doi.org/10.15278/isms.2021.rk03","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"9 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82056916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
SOFTWARE IMPLEMENTATION OF A MULTI-CHANNEL, MULTI-FREQUENCY LOCK-IN AMPLIFIER 软件实现了一个多通道、多频率的锁相放大器
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.wb12
Amrut Nadgir, N. Shivaram, M. Brister, Richard L. Thurston, D. Slaughter
. Weak emission signals are usually measured and analyzed with one or more sensitive detectors, such as a photomultiplier tube, to obtain sufficient signal from fluorescent samples. Here we demonstrate the measurement of fluorescence from solutions of Rhodamine 6G in ethanol for optical excitation at 532 nm without a photomultiplier, but with a much less sensitive spectrometer (Ocean Optics OCEAN-FX-XR1-ES) and a Software Implementation of a Multi-Channel, Multi-Frequency Lock-in Amplifier (SILIA). SILIA is a software implementation of a multi-channel, multi-frequency Lock-in Amplifier to extract modulated signals from noisy data with arbitrary dimensionality and number of channels. It emulates the functionality of a multi-channel, multi-frequency lock-in amplifier in a post-processing step following data acquisition. Unlike most traditional lock-in am-plifiers, SILIA can work with any number of input channels and is especially useful to analyze data with high dimensionality. Since a photomultipler tube was not used, the observed spectrum contains spectral information from scatter photons of the pulsed 532 nm laser light and fluorescent signal of Rhodamine 6G onto the spectrometer. Without SILIA, this pollution renders the fluorescent signal indistinguishable from the background signal. Present the methodology behind SILIA and demonstrate its application for extracting weak signals in spectroscopy. We also discuss more general applications and exhibit a method to automatically estimate error from a lock-in result.
。弱发射信号通常用一个或多个灵敏的探测器(如光电倍增管)进行测量和分析,以从荧光样品中获得足够的信号。在这里,我们展示了在532 nm光激发下,在没有光电倍增管的情况下,使用灵敏度低得多的光谱仪(Ocean Optics Ocean - fx - xr2 - es)和软件实现的多通道,多频率锁定放大器(SILIA)来测量罗丹明6G乙醇溶液的荧光。SILIA是一种多通道、多频率锁相放大器的软件实现,用于从任意维度和通道数的噪声数据中提取调制信号。它在数据采集后的后处理步骤中模拟了多通道,多频率锁定放大器的功能。与大多数传统的锁相放大器不同,SILIA可以处理任意数量的输入通道,特别适用于分析高维数据。由于没有使用光电倍增管,因此观测到的光谱包含了532 nm脉冲激光散射光子和罗丹明6G荧光信号到光谱仪上的光谱信息。如果没有SILIA,这种污染会使荧光信号与背景信号无法区分。介绍了SILIA背后的方法,并演示了其在光谱学中提取微弱信号的应用。我们还讨论了更一般的应用,并展示了一种从锁定结果自动估计误差的方法。
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引用次数: 2
DETAILED VIEW INTO THE Au2+ POTENTIAL ENERGY SURFACES 详细观察到的Au2+势能面
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.rl14
M. Förstel, O. Dopfer, R. Mitrić, R. Radloff, T. Studemund, Kai Pollow
{"title":"DETAILED VIEW INTO THE <span class=\"roman\">Au</span><sub><span class=\"roman\">2</span></sub><sup><span class=\"roman\">+</span></sup> POTENTIAL ENERGY SURFACES","authors":"M. Förstel, O. Dopfer, R. Mitrić, R. Radloff, T. Studemund, Kai Pollow","doi":"10.15278/isms.2021.rl14","DOIUrl":"https://doi.org/10.15278/isms.2021.rl14","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"43 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82540454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
ADAPTATION TO HIGH RESOLUTION OF AN ALGORITHM TO RETRIEVE THE INSTRUMENT LINE SHAPE OF A FOURIER TRANSFORM SPECTROMETER 一种适应高分辨率的傅立叶变换光谱仪仪器线形检索算法
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.tm06
T. Bertin, J. Vander Auwera
{"title":"ADAPTATION TO HIGH RESOLUTION OF AN ALGORITHM TO RETRIEVE THE INSTRUMENT LINE SHAPE OF A FOURIER TRANSFORM SPECTROMETER","authors":"T. Bertin, J. Vander Auwera","doi":"10.15278/isms.2021.tm06","DOIUrl":"https://doi.org/10.15278/isms.2021.tm06","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86406809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
NEW MEASUREMENTS AND ASSIGNMENTS IN THE vt = 0, 1, 2 TORSIONAL STATES OF CD3OH AND CH3< CD3OH和CH3的vt = 0,1,2扭转态的新测量和赋值
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.th06
V. Ilyushin, Li-Hong Xu, R. Lees, K. Berezkin, C. Maul, S. Bauerecker, S. Schlemmer, F. Lewen, H. Müller, O. Dorovskaya, E. Alekseev, Y. Bakhmat
{"title":"NEW MEASUREMENTS AND ASSIGNMENTS IN THE v<sub>t</sub> = 0, 1, 2 TORSIONAL STATES OF <span class=\"roman\">CD</span><sub><span class=\"roman\">3</span></sub><span class=\"roman\">OH</span> AND <span class=\"roman\">CH</span><sub><span class=\"roman\">3</span></sub><","authors":"V. Ilyushin, Li-Hong Xu, R. Lees, K. Berezkin, C. Maul, S. Bauerecker, S. Schlemmer, F. Lewen, H. Müller, O. Dorovskaya, E. Alekseev, Y. Bakhmat","doi":"10.15278/isms.2021.th06","DOIUrl":"https://doi.org/10.15278/isms.2021.th06","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90046093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MICROWAVE SPECTROSCOPY: LINESHAPE APPROXIMATION FOR SQUARE-WAVE FREQUENCY MODULATION 微波光谱学:方波调频的线形近似
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.ti12
E. Alekseev, V. Ilyushin
{"title":"MICROWAVE SPECTROSCOPY: LINESHAPE APPROXIMATION FOR SQUARE-WAVE FREQUENCY MODULATION","authors":"E. Alekseev, V. Ilyushin","doi":"10.15278/isms.2021.ti12","DOIUrl":"https://doi.org/10.15278/isms.2021.ti12","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83049851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
LINE MIXING STUDY ON THE NITRIC OXIDE FUNDAMENTAL BAND NEAR 5.3 MICRONS 5.3微米附近一氧化氮基带的谱线混合研究
Pub Date : 2021-06-25 DOI: 10.15278/isms.2021.tm02
Wey-Wey Su, R. Hanson, C. Strand, Yiming Ding, Christopher A. Almodovar
{"title":"LINE MIXING STUDY ON THE NITRIC OXIDE FUNDAMENTAL BAND NEAR 5.3 MICRONS","authors":"Wey-Wey Su, R. Hanson, C. Strand, Yiming Ding, Christopher A. Almodovar","doi":"10.15278/isms.2021.tm02","DOIUrl":"https://doi.org/10.15278/isms.2021.tm02","url":null,"abstract":"","PeriodicalId":20484,"journal":{"name":"Proceedings of the 2021 International Symposium on Molecular Spectroscopy","volume":"43 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88583399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Proceedings of the 2021 International Symposium on Molecular Spectroscopy
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