TY  - JOUR
AU  - Ballone, P.
AU  - Montanari, B.
AU  - Jones, G. J.
TI  - Density functional study of carbonic acid clusters
JO  - The journal of chemical physics
VL  - 112
SN  - 0021-9606
CY  - Melville, NY
PB  - American Institute of Physics
M1  - PreJuSER-61566
SP  - 6571 - 6575
PY  - 2000
N1  - Record converted from VDB: 12.11.2012
AB  - Density functional calculations on carbonic acid H2CO3 are extended to clusters of up to five such units. The most stable forms are the linear, hydrogen-bonded analogs of the dimer with anti-anti orientation. We calculate structures and vibration frequencies, as well as the energy required to bend and stretch the linear isomers. Linear chains of up to similar to 20 units should be favored over ring structures, and they have a tensile strength reminiscent of chains of water molecules. We also discuss planar, nonlinear structures as well as three-dimensional isomers. (C) 2000 American Institute of Physics. [S0021-9606(00)30615-8].
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000086297000009
UR  - https://juser.fz-juelich.de/record/61566
ER  -