Molecular mechanics (MM4) force field development for phosphine and its alkyl derivatives

Chirality

Volumn 14, Issue 2-3, 2002, Pages 220-231

  Todebush, Patricia Metthe ^a   Liang, Guyan ^a   Bowen, J Phillip ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

Electron diffraction microwave; Force field, alkylphosphine; Infrared; MM3 MM4; Molecular mechanics

Indexed keywords

DIMETHYLPHOSPHINE; ETHYLDIMETHYLPHOSPHINE; ETHYLPHOSPHINE; METHYLPHOSPHINE; PHOSPHINE DERIVATIVE; TERT BUTYL PHOSPHINE; TRIMETHYLPHOSPHINE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; ENERGY; MOLECULAR MECHANICS; PRIORITY JOURNAL; SPECTROSCOPY; STRUCTURE ANALYSIS; VIBRATION;

EID: 0036157170     PISSN: 08990042     EISSN: None     Source Type: Journal    
DOI: 10.1002/chir.10066     Document Type: Article

References (24)

1. Molecular mechanics - The MM3 force-field for hydrocarbons, 1
2. MM3 mololecular mechanics study of alkylphosphines
3. Parameter analysis and refinement toolkit system and its application in MM3 parameterization for phosphine and its derivatives
4. An improved force field (MM4) for saturated hydrocarbons
5. Molecular mechanics (MM4) Calculations on Alkenes
6. Electron diffraction study of the structure of phosphine
7. Absolute infrared intensities of vibration bands in ammonia and phosphine
8. Electron diffraction study of monomethylphosphine and dimethylphosphine
9. Electron diffraction study of the structure of trimethylphosphine
10. Microwave spectrum and internal barrier of methylphosphine
11. Vibrational spectra and force constants of methylphosphine
12. Microwave, infrared, and Raman-spectra, vibrational assignment, normal coordinate analysis, and barrier to internal-rotation of dimethylphosphine-D3
13. Microwave spectra of molecules exhibiting internal rotation. 4. Isobutane, tertiary butyl fluoride, and trimethylphospine
14. Vibration spectrum of trimethyl phosphine-D9
15. Low-frequency modes in molecular crystals. 9. Methyl torsions and barriers to internal rotation of some 3-top molecules
16. Spectra and structure of organophosphorus compounds. 34. The Rs and Ro Structures of trans and gauche ethylphosphine
17. Spectra and structure of organophosphorus compounds. 14. Infrared and Raman-Spectra, vibrational assignment and asymmetric potential function for ethylphosphine and ethylphosphine-D2
18. Microwave-spectrum of gauche-isopropylphosphine
19. Spectra and structure of organophosphorus compounds. 16. Infrared and Raman-spectra, vibrational assignment and conformational-analysis for isopropylphosphine and isopropylphosphine-D2
20. Spectra and structure of organophosphorus compounds. 25. Raman and infrared-spectra and conformational stability of ethyldimethylphosphine
21. An electron-diffraction investigation of the molecular-structure of ethyldimethylphosphine in the gas-phase
22. Microwavespectrum of tertiary-butylphosphine
23. Spectra And structure of organophosphorus compounds. 17. IR and Raman-spectra, vibrational assignment and barriers to internal-rotation for tert-butylphosphine