Derivation of instanton rate theory from first principles.

Derivation of instanton rate theory from first principles.

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http://www.wikidata.org/entity/Q47568530
Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H2O2 → H2O + OH.Microcanonical and thermal instanton rate theory for chemical reactions at all temperatures.Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations.Atom tunnelling in the reaction NH3+ + H2 → NH4+ + H and its astrochemical relevance.Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects.Kinetic isotope effects and how to describe them.Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory.The dissociation and recombination rates of CH4 through the Ni(111) surface: The effect of lattice motion.Rate constants from instanton theory via a microcanonical approach.Instanton rate constant calculations close to and above the crossover temperature.Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals.Efficient evaluation of atom tunneling combined with electronic structure calculations.Effects of tunnelling and asymmetry for system-bath models of electron transfer.Reaction rates and kinetic isotope effects of H2 + OH → H2O + H.Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice
P2860

Derivation of instanton rate theory from first principles.

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http://www.wikidata.org/entity/Q47568530
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2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
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2016年學術文章
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2016年學術文章
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name
Derivation of instanton rate theory from first principles.
@en
Derivation of instanton rate theory from first principles.
@nl
type
label
Derivation of instanton rate theory from first principles.
@en
Derivation of instanton rate theory from first principles.
@nl
prefLabel
Derivation of instanton rate theory from first principles.
@en
Derivation of instanton rate theory from first principles.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P818
P356
P1433
P1476
Derivation of instanton rate theory from first principles.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P818