Toward Accurate yet Effective Computations of Rotational Spectroscopy Parameters for Biomolecule Building Blocks [PDF]
Molecules, 2023 The interplay of high-resolution rotational spectroscopy and quantum-chemical computations plays an invaluable role in the investigation of biomolecule building blocks in the gas phase.
Vincenzo Barone +2 more
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Enantioselective Synthesis of Enantioisotopomers with Quantitative Chiral Analysis by Chiral Tag Rotational Spectroscopy. [PDF]
Angew Chem Int Ed Engl, 2022 Fundamental to the synthesis of enantioenriched chiral molecules is the ability to assign absolute configuration at each stereogenic center, and to determine the enantiomeric excess for each compound.
Mills MD +7 more
europepmc +2 more sources
Nonlinear rotational spectroscopy reveals many-body interactions in water molecules. [PDF]
Proc Natl Acad Sci U S A, 2021 Significance Since water vapor exists everywhere around us and is crucial to life, the stable complexes that water molecules form with each other and with various environmental constituents have been studied extensively.
Zhang Y +5 more
europepmc +2 more sources
Towards automated molecular detection through simulated generation of CMOS-based rotational spectroscopy [PDF]
Heliyon, 2023 The use of CMOS sensors for rotational spectroscopy is a promising, but challenging avenue for low-cost gas sensing and molecular identification. A main challenge in this approach is that practical CMOS spectroscopy samples contain various different ...
Yasamin Fozouni +2 more
doaj +2 more sources
The Shapes of Sulfonamides: A Rotational Spectroscopy Study [PDF]
Molecules, 2022 Benzenesulfonamides are a class of molecules of extreme interest in the biochemical field because many of them are active against a variety of diseases. In this work, the pharmacophoric group benzensulfonamide, its derivatives para-toluensulfonamide and ...
Annalisa Vigorito +6 more
doaj +2 more sources
Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone-(H2 O)1-3 Clusters with Rotational Spectroscopy. [PDF]
Angew Chem Int Ed Engl, 2021 Examined here are the structures of complexes of benzophenone microsolvated with up to three water molecules by using broadband rotational spectroscopy and the cold conditions of a molecular jet.
Li W +3 more
europepmc +2 more sources
Assessing the performance of rotational spectroscopy in chiral analysis. [PDF]
Chem Sci, 2020 The capabilities of rotational spectroscopy-based methods as tools to deliver accurate and precise chirality-sensitive information are still breaking ground, but their applicability in the challenging field of analytical chemistry is already clear.
Domingos SR +4 more
europepmc +2 more sources
The Structure of 2,6-Di-tert-butylphenol–Argon by Rotational Spectroscopy [PDF]
Molecules, 2023 The molecular structure of a van der Waals-bonded complex involving 2,6-di-tert-butylphenol and a single argon atom has been determined through rotational spectroscopy.
Wenqin Li +4 more
doaj +2 more sources
Terahertz Rotational Spectroscopy of Greenhouse Gases Using Long Interaction Path-Lengths
Applied Sciences, 2021 Even if on-board mm-wave/THz heterodyne receivers have been developed to measure greenhouse gases (GHGs) atmospheric profiles, rotational spectroscopy rests under-exploited for their monitoring unlike IR rovibrational spectroscopy.
Arnaud Cuisset +9 more
doaj +2 more sources
Broad band high resolution rotational spectroscopy for Laboratory Astrophysics. [PDF]
Astron Astrophys, 2019 We present a new experimental setup devoted to the study of gas phase molecules and processes using broad band high spectral resolution rotational spectroscopy.
Cernicharo J +35 more
europepmc +2 more sources