Linear scaling with cluster size for calculations of NMR properties in liquids

Collection of Czechoslovak Chemical Communications

Volumn 68, Issue 12, 2003, Pages 2292-2296

  Müller, Markus G ^a   Huber, Hanspeter ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

Author keywords

Cluster method; DQCC; Linear scaling; Liquid state; Molecular dynamics; NMR chemical shielding; Pair additivity

Indexed keywords

WATER;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CLUSTER ANALYSIS; CORRELATION ANALYSIS; EVALUATION; LIQUID; NUCLEAR MAGNETIC RESONANCE; SIMULATION; SOLUTE; SURFACE PROPERTY;

EID: 1642514635     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20032292     Document Type: Article

References (14)

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