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Volumn 114, Issue 50, 2010, Pages 16854-16859

H2CO3 forms via HCO3- in water

Author keywords

[No Author keywords available]

Indexed keywords

DISSOLUTION; MOLECULES; OXYGEN; REACTION KINETICS;

EID: 78650362868     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1099909     Document Type: Article
Times cited : (95)

References (79)
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    • CPMD v3.11. Copyright IBM Corp 1990-2007, Copyright MPI fr Festkörperforschung Stuttgart, 1997-2001
    • CPMD v3.11. Copyright IBM Corp 1990-2007, Copyright MPI fr Festkörperforschung Stuttgart, 1997-2001.
  • 50
    • 85067717594 scopus 로고    scopus 로고
    • For selected examples, see
    • For selected examples, see
  • 68
    • 85067711773 scopus 로고    scopus 로고
    • After having crossed the barrier, the simulation have been conducted only for a few picoseconds.
    • After having crossed the barrier, the simulation have been conducted only for a few picoseconds.
  • 69
    • 85067705514 scopus 로고    scopus 로고
    • j is 0 and gradually vanishes as this sum exceeds 0.6.
    • 2 oxygens. We accept the proton wire if the products are larger than 0.8. In this way, we can locate the presence of H-bond wire of length two, three, and four in terms of H-bond.
  • 71
    • 85067725566 scopus 로고    scopus 로고
    • 2 can have a large value without a H-bond chain, as follows from its definition.
    • 2 can have a large value without a H-bond chain, as follows from its definition.
  • 73
    • 0031576302 scopus 로고    scopus 로고
    • The dipole moment of a molecule in solution can be estimated from the Wannier centers and the atomic positions
    • The dipole moment of a molecule in solution can be estimated from the Wannier centers and the atomic positions: Silvestrelli, P. L.; Bernasconi, M.; Parrinello, M. Chem. Phys. Lett. 1997, 277, 478-482
    • (1997) Chem. Phys. Lett. , vol.277 , pp. 478-482
    • Silvestrelli, P.L.1    Bernasconi, M.2    Parrinello, M.3
  • 76
    • 85067721538 scopus 로고    scopus 로고
    • 3 formation by restraining the actual CNs at low values. See the Supporting Information for details.
    • 3 formation by restraining the actual CNs at low values. See the Supporting Information for details.
  • 77
    • 85067717546 scopus 로고    scopus 로고
    • 1 at 25.0 °C in ref 14.
    • 1 at 25.0 °C in ref 14.
  • 78


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.