ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON WATER CARBON DIOXIDE SYSTEM - REACTION PATHWAY FOR H2O+CO2-]H2CO3

被引：95
|
作者：
JONSSON, B
KARLSTROM, G
WENNERSTROM, H
FORSEN, S
ROOS, B
ALMLOF, J
机构：
[1] CHEM CTR,DIV PHYS CHEM,S-22007 LUND,SWEDEN
[2] UNIV STOCKHOLM,INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 99卷 / 14期
关键词：
D O I：
10.1021/ja00456a018
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：4628 / 4632
页数：5
相关论文
共 50 条
  • [21] Hydrophobic Nanoconfinement Enhances CO2 Conversion to H2CO3
    Dasgupta, Nabankur
    Ho, Tuan A.
    Rempe, Susan B.
    Wang, Yifeng
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, 14 (06): : 1693 - 1701
  • [22] ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON HYDROGEN-BONDING IN BINARY WATER-ALCOHOL MIXTURES - (CH3OH)2(H2O), (CH3OH)(H2O)2, AND (CF3CH2OH)(H2O)
    CURTISS, LA
    FRURIP, DJ
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, : 189 - 197
  • [23] Aqueous Carbonic Acid (H2CO3)
    Loerting, Thomas
    Bernard, Juergen
    CHEMPHYSCHEM, 2010, 11 (11) : 2305 - 2309
  • [24] AN ABINITIO STUDY OF THE GEOMETRY, ENERGY, AND SELECTED FORCE-CONSTANTS FOR THE 3 PLANAR CONFORMERS OF CARBONIC-ACID, AND THE BICARBONATE ION AND OF THE ENERGY FOR THE REACTION H2O + CO2-]H2CO3
    GEORGE, P
    BOCK, CW
    TRACHTMAN, M
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) : 283 - 296
  • [25] On the processe "NH2COONH4+H2O reversible arrow(NH4)(2)CO3" and "CO2+H2O reversible arrow H2CO3"
    Faurholt, C
    ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1921, 120 (02): : 85 - 102
  • [26] MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS .3. C=O H-O HYDROGEN BOND IN H2CO H2O AND H2CO 2H2O
    MOROKUMA, K
    JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03): : 1236 - &
  • [27] Stable solid and aqueous H2CO3 from CO2 and H2O at high pressure and high temperature
    Wang, Hongbo
    Zeuschner, Janek
    Eremets, Mikhail
    Troyan, Ivan
    Willams, Jonathan
    SCIENTIFIC REPORTS, 2016, 6
  • [28] Stable solid and aqueous H2CO3 from CO2 and H2O at high pressure and high temperature
    Hongbo Wang
    Janek Zeuschner
    Mikhail Eremets
    Ivan Troyan
    Jonathan Willams
    Scientific Reports, 6
  • [29] STRUCTURES AND STABILITIES OF C2H2F3+ CATIONS - AN ABINITIO MOLECULAR-ORBITAL STUDY
    CHARPENTIER, M
    FOSSEY, J
    TIDWELL, TT
    WOLFE, S
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1987, 65 (03): : 473 - 481
  • [30] Thermodynamic Calculations of the Critical Points of the H2-CO2-CH4-CO-H2O System
    Cheng, Siyuan
    Ma, Weigang
    Sakoda, Naoya
    Zhang, Xing
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2020, 41 (10)
12345