Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains
- George C. Lie
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
Paper
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954 results at The Journal of Chemical Physics
Study of the structure of molecular complexes. VIII. Small clusters of water molecules surrounding Li+, Na+, K+, F-, and Cl- ions
- H. Kistenmacher
- H. Popkie
- et al.
- 2003
- The Journal of Chemical Physics
PaperRadio-frequency spectrum of metastable N2(A 3Σ u+). II. Fine structure, magnetic hyperfine structure, and electric quadrupole constants in the lowest 13 vibrational levels
- David De Santis
- Allen Lurio
- et al.
- 2003
- The Journal of Chemical Physics
PaperImproved potentials for Ne+Ar, Ne+Kr, and Ne+Xe
- C.Y. Ng
- Y.T. Lee
- et al.
- 2003
- The Journal of Chemical Physics
PaperAb initio potential energy surface for linear H3
- B. Liu
- 2003
- The Journal of Chemical Physics
PaperRotational transitions in H2 by Li+ collisions at ec.m.=0.6 eV; Comparison with experiment
- William A. Lester Jr.
- Joachim Schaefer
- 2003
- The Journal of Chemical Physics
PaperA theoretical study of the lithium fluoride molecule in water
- R.O. Watts
- E. Clementi
- et al.
- 2003
- The Journal of Chemical Physics
PaperStudy of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree Fock type density and its application to the homonuclear diatomic molecules of the second row atoms
- George C. Lie
- Enrico Clement
- 2003
- The Journal of Chemical Physics
PaperSimple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54
- Caria Roetti
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
PaperPNO-CI studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
- Wilfried Meyer
- 2003
- The Journal of Chemical Physics
Paper