| 1 |
Accurate ab initio potential for HO2+: CBS extrapolated energies and direct-fit diatomic curves
Xavier FGD, Martinez-Gonzalez M, Varandas AJC
Chemical Physics Letters, 691, 421, 2018 |
| 2 |
Electronic structure of diatomic molecules composed of a first-row transition metal and main-group element (H-F)
Harrison JF
Chemical Reviews, 100(2), 679, 2000 |
| 3 |
A first principles study of the acetylene-water interaction
Tzeli D, Mavridis A, Xantheas SS
Journal of Chemical Physics, 112(14), 6178, 2000 |
| 4 |
The C-3 Pi, d(1)Pi, and e(1)Pi states of SO
Archer CP, Elks JMF, Western CM
Journal of Chemical Physics, 112(14), 6293, 2000 |
| 5 |
The free energies of reactions of chlorinated methanes with aqueous monovalent anions: Application of ab initio electronic structure theory
Bylaska EJ, Dixon DA, Felmy AR
Journal of Physical Chemistry A, 104(3), 610, 2000 |
| 6 |
Chemically accurate ab initio potential energy surfaces for the lowest (3)A ＇ and (3)A ＇＇ electronically adiabatic states of O(P-3)+H-2
Rogers S, Wang DS, Kuppermann A, Walch S
Journal of Physical Chemistry A, 104(11), 2308, 2000 |
| 7 |
The molecular structure and ionization potential of Si-2: The role of the excited states in the photoionization of Si-2
Dixon DA, Feller D, Peterson KA, Gole JL
Journal of Physical Chemistry A, 104(11), 2326, 2000 |
| 8 |
Solvation of sodium dimer in ammonia clusters: Photoelectron spectroscopy and ab initio study of Na-2(-)(NH3)(n)
Takasu R, Hashimoto K, Okuda R, Fuke K
Journal of Physical Chemistry A, 103(3), 349, 1999 |
| 9 |
Spin-orbit effects on the electronic structure of heavy and superheavy hydrogen halides: Prediction of an anomalously strong bond in H[117]
Nash CS, Bursten BE
Journal of Physical Chemistry A, 103(5), 632, 1999 |
| 10 |
C(sp(2))-C(sp(3)) rotational barriers in simple amides: H2N-C(=O)-R(R = methyl, ethyl, i-propyl, tert-butyl)
Sandrone G, Dixon DA, Hay BP
Journal of Physical Chemistry A, 103(7), 893, 1999 |
