Coupled QM/MM molecular dynamics simulations of hcl interacting with ice surfaces and water clusters - Evidence of rapid ionization

Journal of Physical Chemistry A

Volumn 104, Issue 24, 2000, Pages 5787-5798

  Syanberg, Marcus ^a   Pettersson, Jan B C ^a   Bolton, Kim ^a,b  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b UNIVERSITY OF BORÅS   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; CRYSTAL ORIENTATION; DISSOCIATION; HYDROGEN BONDS; ICE; IONIZATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; QUANTUM THEORY; WATER;

MOLECULAR ORBITAL THEORY;

HYDROCHLORIC ACID;

EID: 0033716834     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0012698     Document Type: Article

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