Hydrogen bonding and autoionization in confined bifluoride system FHF

作者: Dylan Hennessey , Mariusz Klobukowski

DOI: 10.1088/1361-6455/AA798E

关键词:

摘要:

参考文章(35)
J. A. Pople, R. K. Nesbet, Self‐Consistent Orbitals for Radicals The Journal of Chemical Physics. ,vol. 22, pp. 571- 572 ,(1954) , 10.1063/1.1740120
John M.H. Lo, Mariusz Klobukowski, Geerd H.F. Diercksen, Low-Lying Excited States of the Hydrogen Molecule in Cylindrical Harmonic Confinement Advances in Quantum Chemistry. ,vol. 48, pp. 59- 89 ,(2005) , 10.1016/S0065-3276(05)48006-5
Piotr Piecuch, Stanisław A. Kucharski, Karol Kowalski, Monika Musiał, Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches Computer Physics Communications. ,vol. 149, pp. 71- 96 ,(2002) , 10.1016/S0010-4655(02)00598-2
A. Sommerfeld, H. Welker, Künstliche Grenzbedingungen beim Keplerproblem Annalen der Physik. ,vol. 424, pp. 56- 65 ,(1938) , 10.1002/ANDP.19384240109
O. Shameema, C. N. Ramachandran, N. Sathyamurthy, Blue shift in X-H stretching frequency of molecules due to confinement. Journal of Physical Chemistry A. ,vol. 110, pp. 2- 4 ,(2006) , 10.1021/JP056027S
C. C. J. Roothaan, New Developments in Molecular Orbital Theory Reviews of Modern Physics. ,vol. 23, pp. 69- 89 ,(1951) , 10.1103/REVMODPHYS.23.69
R. McWeeny, G. Diercksen, Self‐Consistent Perturbation Theory. II. Extension to Open Shells Journal of Chemical Physics. ,vol. 49, pp. 4852- 4856 ,(1968) , 10.1063/1.1669970
J.M.H. Lo, M. Klobukowski, Computational studies of one-electron properties of lithium hydride in confinement Chemical Physics. ,vol. 328, pp. 132- 138 ,(2006) , 10.1016/J.CHEMPHYS.2006.06.019
M.M. Szczesniak, Steve Scheiner, Effect of secondary basis-set superposition error upon calculated vibrational intensities Chemical Physics Letters. ,vol. 131, pp. 230- 236 ,(1986) , 10.1016/0009-2614(86)80551-6