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
Publications
954 results at The Journal of Chemical Physics
Interatomic potentials for krypton and xenon
- J.A. Barker
- R.O. Watts
- et al.
- 2003
- The Journal of Chemical Physics
Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54
- Caria Roetti
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. III. Energy surface of a water molecule in the field of a fluorine or chlorine anion
- H. Kistenmacher
- H. Popkie
- et al.
- 2003
- The Journal of Chemical Physics
7Σ+ and7∏ states of manganese hydride
- Paul S. Bagus
- Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics
Theory and Monte Carlo simulation of physical clusters in the imperfect vapor
- K. Lee
- J.A. Barker
- et al.
- 2003
- The Journal of Chemical Physics
Self-consistent phonon calculation of the β phase and the α-β transition in solid nitrogen
- J.C. Raich
- N.S. Gillis
- et al.
- 2003
- The Journal of Chemical Physics
Multiplescattering method based on overlapping atomic spheres with application to the TCNQ molecule
- Frank Herman
- Arthur R. Williams
- et al.
- 2003
- The Journal of Chemical Physics
Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
- Gretchen M. Schwenzer
- Dean H. Liskow
- et al.
- 2003
- The Journal of Chemical Physics
Magnetic state of an unusual bacterial heme protein
- Martin M. Maltempo
- 2003
- The Journal of Chemical Physics