화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Aqueous microsolvation of mercury halide species
Shepler BC, Wright AD, Balabanov NB, Peterson KA
Journal of Physical Chemistry A, 111(44), 11342, 2007
2 Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2
Balabanov NB, Shepler BC, Peterson KA
Journal of Physical Chemistry A, 109(39), 8765, 2005
3 Ab initio thermochemistry involving heavy atoms: An investigation of the reactions Hg+IX (X=1, Br, Cl, O)
Shepler BC, Balabanov NB, Peterson KA
Journal of Physical Chemistry A, 109(45), 10363, 2005
4 Accurate theoretical near-equilibrium potential energy and dipole moment surfaces of HgClO and HgBrO
Balabanov NB, Peterson KA
Journal of Chemical Physics, 120(14), 6585, 2004
5 A systematic ab initio study of the structure and vibrational spectroscopy of HgCl2, HgBr2, and HgBrCl
Balabanov NB, Peterson KA
Journal of Chemical Physics, 119(23), 12271, 2003
6 Mercury and reactive halogens: The thermochemistry of Hg+{Cl-2, Br-2, BrCl, ClO, and BrO}
Balabanov NB, Peterson KA
Journal of Physical Chemistry A, 107(38), 7465, 2003
7 Pseudo Jahn-Teller origin of instability of molecular high-symmetry configurations: Novel numerical method and results
Bersuker IB, Balabanov NB, Pekker D, Boggs JE
Journal of Chemical Physics, 117(23), 10478, 2002
8 Ab initio study of structure and spectra of MnH2, MnH2-, and MnH3
Balabanov NB, Boggs JE
Journal of Physical Chemistry A, 106(29), 6839, 2002
9 Lowest singlet and triplet states of copper, silver, and gold trihydrides: an ab initio study
Balabanov NB, Boggs JE
Journal of Physical Chemistry A, 105(24), 5906, 2001
10 Ab initio study of molecular and electronic structures of early transition metal trihydrides MH3 (M = Sc, Ti, V, Fe)
Balabanov NB, Boggs JE
Journal of Physical Chemistry A, 104(7), 1597, 2000