Noncovalent interactions in the gas phase: The anisole-phenol complex

Journal of Physical Chemistry A

Volumn 115, Issue 34, 2011, Pages 9603-9611

  Pietraperzia, Giangaetano ^a,b   Pasquini, Massimiliano ^a,b   Mazzoni, Federico ^a,b   Piani, Giovanni ^a,f   Becucci, Maurizio ^a,b   Biczysko, Malgorzata ^c,d,e   Michalski, Daniel ^d,e   Bloino, Julien ^c,d,e   Barone, Vincenzo ^c  

^a UNIVERSITY OF FLORENCE   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

^c SCUOLA NORMALE SUPERIORE   (Italy)

^d UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^e Università degli Stud di Napoli Federico II   (Italy)

^f CEA SACLAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BAND ORIGINS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL COMPUTATIONS; ELECTRON SYSTEMS; ELECTRONIC TRANSITION; EQUILIBRIUM STRUCTURES; EXCITED ELECTRONIC STATE; EXPERIMENTAL DATA; FIRST-PRINCIPLES; GASPHASE; HYDROGEN ATOMS; LONE PAIR; METHYL GROUP; NON-COVALENT INTERACTION; NONPLANAR CONFIGURATION; OXYGEN ATOM; PROTON DONORS; SECONDARY INTERACTIONS; SPECTRA SIMULATIONS; SPECTROSCOPIC STUDIES;

ELECTRONIC STATES; FUNCTIONAL GROUPS; HYDROGEN; HYDROGEN BONDS; MOLECULES; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS;

PHENOLS;

ANISOLE; ANISOLE DERIVATIVE; HYDROGEN; OXYGEN; PHENOL; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; GAS; HYDROGEN BOND; METHODOLOGY; PHYSICAL CHEMISTRY; SPECTROSCOPY; THERMODYNAMICS;

ANISOLES; CHEMISTRY, PHYSICAL; ELECTRONS; GASES; HYDROGEN; HYDROGEN BONDING; MODELS, MOLECULAR; OXYGEN; PHENOL; PROTONS; SPECTRUM ANALYSIS; THERMODYNAMICS;

EID: 80052223399     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp200444a     Document Type: Article

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