Like-charge ion pairing in water: An ab initio molecular dynamics study of aqueous guanidinium cations

Journal of Physical Chemistry Letters

Volumn 3, Issue 15, 2012, Pages 2021-2024

  Vazdar, Mario ^a,b   Uhlig, Frank ^a   Jungwirth, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; AMPHIPHILIC BEHAVIOR; AQUEOUS AMMONIUM; BIOLOGICAL PROCESS; CONTACT ION PAIRS; CONTROL SIMULATION; ELECTROSTATIC REPULSION; GUANIDINIUM CATIONS; ION PAIRING; SPECIFIC CONTACT; VAN DER WAALS INTERACTIONS;

AMINO ACIDS; AMMONIUM COMPOUNDS; POSITIVE IONS; VAN DER WAALS FORCES;

MOLECULAR DYNAMICS;

EID: 84864743017     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz3007657     Document Type: Article

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