The benzoic acid–water complex: a potential atmospheric nucleation precursor studied using microwave spectroscopy and ab initio calculations

2014 ◽  
Vol 16 (6) ◽  
pp. 2305-2314 ◽  
Author(s):  
Elijah G. Schnitzler ◽  
Wolfgang Jäger
Keyword(s):  
Benzoic Acid ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Microwave Spectroscopy ◽  
Acid Water ◽  
Water Complex ◽  
Atmospheric Nucleation

Rotational spectra of rare isotopic species of bromofluoromethane: Determination of the equilibrium structure from ab initio calculations and microwave spectroscopy

2007 ◽  
Vol 127 (16) ◽  
pp. 164302 ◽  
Author(s):  
Cristina Puzzarini ◽  
Gabriele Cazzoli ◽  
Agostino Baldacci ◽  
Alessandro Baldan ◽  
Christine Michauk ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Equilibrium Structure ◽  
Microwave Spectroscopy ◽  
Rotational Spectra ◽  
Isotopic Species

scholarly journals Gas phase complexes of H3N⋯CuF and H3N⋯CuI studied by rotational spectroscopy and ab initio calculations: the effect of X (X = F, Cl, Br, I) in OC⋯CuX and H3N⋯CuX

2016 ◽  
Vol 18 (19) ◽  
pp. 13638-13645 ◽  
Author(s):  
Dror M. Bittner ◽  
Susanna L. Stephens ◽  
Daniel P. Zaleski ◽  
David P. Tew ◽  
Nicholas R. Walker ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy

Complexes of H3N⋯CuF and H3N⋯CuI have been synthesised in the gas phase and characterized by microwave spectroscopy.

Investigation of the molecular structure of catechol by combined microwave spectroscopy and AB initio calculations

1990 ◽  
Vol 240 ◽  
pp. 263-274 ◽  
Author(s):  
Walther Caminati ◽  
Salvatore Di Bernardo ◽  
Lothar Schäfer ◽  
Susan Q. Kulp-Newton ◽  
Khamis Siam
Keyword(s):  
Molecular Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Microwave Spectroscopy

Hydration of the simplest α-keto acid: a rotational spectroscopic and ab initio study of the pyruvic acid–water complex

2017 ◽  
Vol 19 (6) ◽  
pp. 4440-4446 ◽  
Author(s):  
Elijah G. Schnitzler ◽  
Nathan A. Seifert ◽  
Supriya Ghosh ◽  
Javix Thomas ◽  
Yunjie Xu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Pyruvic Acid ◽  
Acid Water ◽  
Keto Acid ◽  
Ab Initio Study ◽  
Water Complex ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Non-covalent interactions analysis of hydrogen bonding in the pyruvic acid water complex.

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