Results 21 to 30 of about 107,082 (295)

Energy distribution analysis of the wavepacket simulations of CH4 and CD4 scattering [PDF]

open access: yes, 2000
The isotope effect in the scattering of methane is studied by wavepacket simulations of oriented CH4 and CD4 molecules from a flat surface including all nine internal vibrations.
A.P.J. Jansen   +66 more
core   +8 more sources

The vertical distribution of iron stable isotopes in the North Atlantic near Bermuda [PDF]

open access: yes, 2012
Seawater dissolved iron isotope ratios (δ^(56)Fe) have been measured in the North Atlantic near Bermuda. In a full-depth profile, seawater dissolved δ^(56)Fe is isotopically heavy compared to crustal values throughout the water column (δ^(56)Fe_(IRMM-014)
Adkins, Jess, John, Seth G.
core   +1 more source

On the theory of the CO+OH reaction, including H and C kinetic isotope effects [PDF]

open access: yes, 2005
The effect of pressure, temperature, H/D isotopes, and C isotopes on the kinetics of the OH+CO reaction are investigated using Rice-Ramsperger-Kassel-Marcus theory.
Chen, Wei-Chen, Marcus, R. A.
core   +1 more source

Kinetic Isotope Effects [PDF]

open access: yesNature, 1972
Isotope Effects in Chemical Reactions . Edited by Clair J. Collins and Newell S. Bowman. Pp. xi + 435. (Van Nostrand Reinhold: London, August 1971.) £11.25.
openaire   +1 more source

Bacterial and abiogenic carbonates formed in caves-no vital effect on clumped isotope compositions.

open access: yesPLoS ONE, 2021
Speleothems (dominated by cave-hosted carbonate deposits) are valuable archives of paleoclimate conditions. As such, they are potential targets of clumped isotope analyses that may yield quantified data about past temperature variations.
Attila Demény   +8 more
doaj   +1 more source

Unraveling the rate-limiting step of two-electron transfer electrochemical reduction of carbon dioxide

open access: yesNature Communications, 2022
Electroreduction of CO2 is heavily investigated but its reaction mechanism needs to be further explored. Here, the authors investigate pH dependency and kinetic isotope effect with respect to the rate expression of CO2 electroreduction to gain further ...
Wanyu Deng   +3 more
doaj   +1 more source

Unusual KIE and dynamics effects in the Fe-catalyzed hetero-Diels-Alder reaction of unactivated aldehydes and dienes

open access: yesNature Communications, 2020
Recently an iron catalyst was developed to catalyze an oxa-Diels-Alder reaction, whose mechanism is unclear yet. Here the authors combine DFT and molecular dynamics simulations with experimental studies to elucidate the unusual iron effect on kinetic ...
Yuhong Yang   +6 more
doaj   +1 more source

Kinetic mass-transfer calculation of water isotope fractionation due to cloud microphysics in a regional meteorological model [PDF]

open access: yesAtmospheric Chemistry and Physics, 2019
In conventional atmospheric models, isotope exchange between liquid, gas, and solid phases is usually assumed to be in equilibrium, and the highly kinetic phase transformation processes inferred in clouds are yet to be fully investigated.
I.-C. Tsai   +5 more
doaj   +1 more source

Enthalpy/Entropy Contributions to Conformational KIEs: Theoretical Predictions and Comparison with Experiment

open access: yesMolecules, 2013
Previous theoretical studies of Mislow’s doubly-bridged biphenyl ketone 1 and dihydrodimethylphenanthrene 2 have determined significant entropic contributions to their normal (1) and inverse (2) conformational kinetic isotope effects (CKIEs).
Aaron Fong   +2 more
doaj   +1 more source

Identifying thermogenic and microbial methane in deep water Gulf of Mexico Reservoirs [PDF]

open access: yes, 2020
The Gulf of Mexico (GOM) produces 5% of total U.S. dry gas production (USEIA, 2016). Despite this, the proportion of microbial and thermogenic methane in discovered and producing fields from this area is still not well understood.
Eiler, John   +6 more
core  

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