Theoretical study of hydrogen bonding in homodimers and heterodimers of amide, boronic acid, and carboxylic acid, free and in encapsulation complexes

Journal of the American Chemical Society

Volumn 133, Issue 42, 2011, Pages 16977-16985

  Tzeli, Demeter ^a   Theodorakopoulos, Giannoula ^a   Petsalakis, Ioannis D ^a   Ajami, Dariush ^b   Rebek, Julius ^b  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BORONIC ACID; CO-ENCAPSULATION; ENCAPSULATION COMPLEXES; GASPHASE; HETERODIMERS; HOMODIMERS; MP2/6-31G; N ,N-DIMETHYLFORMAMIDE; SMALL VARIATIONS; THEORETICAL STUDY;

CARBOXYLIC ACIDS; DIMERS; DIMETHYLFORMAMIDE; GASES; HYDROGEN; ORGANIC SOLVENTS;

HYDROGEN BONDS;

AMIDE; BORONIC ACID DERIVATIVE; CARBOXYLIC ACID; HETERODIMER; HOMODIMER; N,N DIMETHYLFORMAMIDE;

ARTICLE; DIMERIZATION; ENCAPSULATION; ENERGY; GAS; HYDROGEN BOND;

AMIDES; BORONIC ACIDS; CAPSULES; CARBOXYLIC ACIDS; COMPUTER SIMULATION; DIMERIZATION; GASES; HYDROGEN BONDING; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 80054990768     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja206555d     Document Type: Article

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