Study of the electronic structure of molecules. XVIII. Interaction between a lithium atom and a cyano group as an example of a polytopic bond
- E. Clementi
- H. Kistenmacher
- et al.
- 2003
- The Journal of Chemical Physics
Paper
Publications
954 results at The Journal of Chemical Physics
Near infrared absorption spectrum of HO2
- H.E. Hunziker
- H.R. Wendt
- 2003
- The Journal of Chemical Physics
PaperOn the SCF-LCAO-MO and the SCF-Xa-SW approximations: Computation of the barrier to internal rotation for ethane
- E. Clementi
- H. Kistenmacher
- et al.
- 2003
- The Journal of Chemical Physics
PaperCHarge transfer equilibria in TTF-TCNQ solutions
- Y. Tomkiewicz
- J.B. Torrance
- et al.
- 2003
- The Journal of Chemical Physics
PaperAnalytical Hartree-Fock wavefunctions for the neutral atoms from helium to xenon
- Carla Roetti
- Enrico Clementi
- 2003
- The Journal of Chemical Physics
PaperAn optimized united atom model for simulations of polymethylene melts
- Wolfgang Paul
- Do Y. Yoon
- et al.
- 1995
- The Journal of Chemical Physics
PaperIntegrating the Car-Parrinello equations. III. Techniques for ultrasoft pseudopotentials
- Jürg Hutter
- Mark Tuckerman
- et al.
- 1995
- The Journal of Chemical Physics
PaperHydrogen on polycrystalline diamond films: Studies of isothermal desorption and atomic deuterium abstraction
- D.D. Koleske
- S. Gates
- et al.
- 1995
- The Journal of Chemical Physics
PaperQuantum "melting" of orientationally ordered physisorbates
- D. Marx
- P. Nielaba
- 1995
- The Journal of Chemical Physics
PaperLaser sputtering of highly oriented pyrolytic graphite at 248 nm
- Douglas J. Krajnovich
- 1995
- The Journal of Chemical Physics
Paper