A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases

Journal of Chemical Physics

Volumn 133, Issue 12, 2010, Pages

  Tuckerman, Mark E ^a   Chandra, Amalendu ^b   Marx, Dominik ^c  

^a NEW YORK UNIVERSITY   (United States)

^b INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^c RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BULK WATER; CHEMICAL MASTER EQUATION; CORRELATION FUNCTION; DEFECT CORE; DIRECT LINKS; EXPERIMENTAL DATA; EXPONENTIAL BEHAVIORS; FRACTIONAL CALCULUS; FRACTIONAL KINETIC MODELS; GRAPHICAL INTERPRETATIONS; HYDROGEN BONDED NETWORK; HYDRONIUMS; HYPERCOORDINATION; INTEGRAL EQUATION FORMALISMS; ITERATIVE SOLUTIONS; LINEAR RATE; LONG TIME BEHAVIOR; LONG-TIME ASYMPTOTICS; MATHEMATICAL FRAMEWORKS; MITTAG-LEFFLER FUNCTIONS; MOLECULAR DYNAMICS SIMULATIONS; POWER LAW DECAY; PROTON TRANSFER REACTIONS; PROTON TRANSPORT; ROTATIONAL ANISOTROPY; SOLVATION STRUCTURE; STATISTICAL MECHANICAL THEORY; STRUCTURAL DIFFUSION; TIME CORRELATION FUNCTIONS; TIME-SCALES; TOPOLOGICAL CHARGES;

ACIDS; CHARGE TRANSFER; COMPUTER SIMULATION; DEFECTS; DIFFERENCE EQUATIONS; HYDROGEN; ION EXCHANGE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POPULATION STATISTICS; PROTONS; REACTION KINETICS; TOPOLOGY;

EXPONENTIAL FUNCTIONS;

ACID; HYDROXIDE; PROTON; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; KINETICS; STATISTICAL MODEL; TRANSPORT AT THE CELLULAR LEVEL;

ACIDS; BIOLOGICAL TRANSPORT; HYDROGEN BONDING; HYDROXIDES; KINETICS; MODELS, STATISTICAL; PROTONS; WATER;

EID: 77957730975     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3474625     Document Type: Article

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