High-level spectroscopic calculations of relevance to astrochemists

John Stanton; P. Changala; Joshua Baraban; Neil Reilly; Michael McCarthy

High-level spectroscopic calculations of relevance to astrochemists

John Stanton
, P. Changala
, Joshua Baraban
, Neil Reilly
, Michael McCarthy

Department of Chemistry

Research output: Contribution to journal › Meeting Abstract

Abstract

High-level calculations of spectra are clearly of use to both laboratory astrochemists and observational astronomers to help guide the discovery of new molecules. In this talk, I will review methods for the calculation of spectra - ranging in wavelength range from the microwave to optical - that achieve accuracies that are useful to experimentalists. Amongst the examples discussed will be the recent discovery of the Si2C molecule by both optical and microwave spectroscopy.

Original language	English
Journal	ACS National Meeting Book of Abstracts
Volume	250
State	Published - 16 Aug 2015

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title = "High-level spectroscopic calculations of relevance to astrochemists",

abstract = "High-level calculations of spectra are clearly of use to both laboratory astrochemists and observational astronomers to help guide the discovery of new molecules. In this talk, I will review methods for the calculation of spectra - ranging in wavelength range from the microwave to optical - that achieve accuracies that are useful to experimentalists. Amongst the examples discussed will be the recent discovery of the Si2C molecule by both optical and microwave spectroscopy.",

author = "John Stanton and P. Changala and Joshua Baraban and Neil Reilly and Michael McCarthy",

note = "ACS Fall 2015 August 16 - 20 | Boston, MA Theme: Innovation from Discovery to Application Organizer: Carston Wagner",

year = "2015",

month = aug,

day = "16",

language = "English",

volume = "250",

journal = "ACS National Meeting Book of Abstracts",

issn = "0065-7727",

publisher = "American Chemical Society",

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TY - JOUR

T1 - High-level spectroscopic calculations of relevance to astrochemists

AU - Stanton, John

AU - Changala, P.

AU - Baraban, Joshua

AU - Reilly, Neil

AU - McCarthy, Michael

N1 - ACS Fall 2015 August 16 - 20 | Boston, MA Theme: Innovation from Discovery to Application Organizer: Carston Wagner

PY - 2015/8/16

Y1 - 2015/8/16

N2 - High-level calculations of spectra are clearly of use to both laboratory astrochemists and observational astronomers to help guide the discovery of new molecules. In this talk, I will review methods for the calculation of spectra - ranging in wavelength range from the microwave to optical - that achieve accuracies that are useful to experimentalists. Amongst the examples discussed will be the recent discovery of the Si2C molecule by both optical and microwave spectroscopy.

AB - High-level calculations of spectra are clearly of use to both laboratory astrochemists and observational astronomers to help guide the discovery of new molecules. In this talk, I will review methods for the calculation of spectra - ranging in wavelength range from the microwave to optical - that achieve accuracies that are useful to experimentalists. Amongst the examples discussed will be the recent discovery of the Si2C molecule by both optical and microwave spectroscopy.

M3 - Meeting Abstract

SN - 0065-7727

VL - 250

JO - ACS National Meeting Book of Abstracts

JF - ACS National Meeting Book of Abstracts

ER -

High-level spectroscopic calculations of relevance to astrochemists

Abstract

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