Does the most stable formic acid tetramer have π stacking or C-H⋯O interactions?

Journal of Chemical Physics

Volumn 124, Issue 22, 2006, Pages

  Karpfen, Alfred ^a   Thakkar, Ajit J ^b  

^a UNIVERSITY OF VIENNA   (Austria)

^b UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DIMERS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

ALIGNED STACKS; BOWL STRUCTURES; DENSITY FUNCTIONAL THEORY; PLANAR ASSOCIATION;

ORGANIC ACIDS;

CARBON; FORMIC ACID; FORMIC ACID DERIVATIVE; HYDROGEN; OXYGEN; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; DIMERIZATION; METHODOLOGY; PHYSICAL CHEMISTRY; SENSITIVITY AND SPECIFICITY; THEORETICAL MODEL; THERMODYNAMICS;

CARBON; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; DIMERIZATION; FORMIC ACIDS; HYDROGEN; MODELS, THEORETICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; OXYGEN; PROTONS; SENSITIVITY AND SPECIFICITY; SOFTWARE; THERMODYNAMICS;

EID: 33745143920     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2209687     Document Type: Article

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