Critical points of the conformational potential energy surface of carbonic acid: H2CO3

Journal of Molecular Structure

Volumn 300, Issue C, 1993, Pages 637-645

  Janoschek, Rudolf ^a   Csizmadia, Imre G ^b,c  

^a UNIVERSITY OF GRAZ   (Austria)

^b UNIVERSITY OF TORONTO   (Canada)

^c UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0011744896     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-2860(93)87052-B     Document Type: Article

References (26)

1. Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3
2. Theoretical model for exploration of catalytic activity of enzymes and design of new catalysts: CO2 hydration reaction
3. Anab initio study of the geometry, energy, and selected force constants for the three planar conformers of carbonic acid, and the bicarbonate ion; and of the energy for the reaction H2O + CO2 ? H2CO3
4. Ab initio study of the hydration of carbon dioxide: Additional comments based on refined calculations
5. Anab initio study of the relationship between the O?H bond length and the harmonic and anharmonic stretching force constants for planar molecules containing C?OH, N?OH, and O?OH groups
6. Guanidinium-Type resonance stabilization and its biological implications. I. the guanidine and extended-guanidine series
7. General and Theoretical Aspects of the Thiol Group
8. Multidimensional Theoretical Stereochemistry and Conformational Potential Energy Surface Topology