Sample records for polyatomare molekuele (polyatomic molecules)
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1

`MULTIMODE': a code to calculate rovibrational energies and wavefunctions of polyatomic molecules

Carter, S.; Bowman, J. M.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

4

Vibrational energy level calculations with internal coordinate Hamiltonian models

Halonen, L.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

6

Variational calculations on symmetric pentatomic molecules: stretching vibrations of methane

Tennyson, J.; Xie, J.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

26

Spectral transformation and filter diagonalization

Yu, H.-G.; Nyman, G.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

32

Rovibrational energy levels of 3- and 4-atom molecules

Handy, N. C.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

41

Predicting the Spectra of Carboions

Bunker, P. R.; Daresbury Laboratory; Collaborative Computational Project No.6
2002-01-01

German National Library of Science and Technology (GetInfo) (German)

64

Kinetic energy operators for general polyatomic molecules and their application to four-atom systems

Mladenovic, M.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

67

Intermolecular potential energy surfaces for bound-state calculations

Hutson, J. M.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

69

High-resolution full and half collision studies of intermolecular potentials

Nesbitt, D. J.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

75
81

Effects of internal motions in Van der Waals complexes: Ar-CH~4 and the water trimer as examples

Van der Avoird, A.; Wormer, P. E. S.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

83

Diffusion Monte Carlo simulation of weakly-bound molecular clusters

Clary, D. C.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

85

Corrections to the Born-Oppenheimer Approximation

Schwenke, D. W.; Daresbury Laboratory; Collaborative Computational Project No.6
2002-01-01

German National Library of Science and Technology (GetInfo) (German)

93

Adiabatic contraction of molecular bases

Viel, A.; Leforestier, C.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)

98

A comparison of iterative methods for calculating energy levels

Huang, S.-W.; Carrington, T.; Engineering and Physical Sciences Research Council; Collaborative Computational Project No 6
1999-01-01

German National Library of Science and Technology (GetInfo) (German)