William England Palke - Publications

1968-1999 Chemistry University of California, Santa Barbara, Santa Barbara, CA, United States 
theoretical chemistry

18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2000 Cuperlovic M, Meresi GH, Palke WE, Gerig JT. Spin Relaxation and Chemical Exchange in NMR Simulations Journal of Magnetic Resonance. 142: 11-23. PMID 10617431 DOI: 10.1006/JMRE.1999.1812  0.52
1999 Meresi GH, Cuperlovic M, Palke WE, Gerig JT. Pulsed Field Gradients in Simulations of One- and Two-Dimensional NMR Spectra Journal of Magnetic Resonance. 137: 186-195. PMID 10053147 DOI: 10.1006/JMRE.1998.1665  0.51
1996 Cuperlović M, Palke WE, Gerig JT, Gray GA. Cross-correlation effects on NMR lineshapes and peptide conformation. Journal of Magnetic Resonance. Series B. 110: 26-38. PMID 8556236 DOI: 10.1006/JMRB.1996.0004  0.52
1994 Smith SA, Palke WE, Gerig JT. The hamiltonians of NMR. Part IV: NMR relaxation Concepts in Magnetic Resonance. 6: 137-162. DOI: 10.1002/CMR.1820060205  0.505
1992 Smith SA, Palke WE, Gerig JT. Theoretical treatment of relaxation in the presence of an RF field Journal of Magnetic Resonance (1969). 100: 18-24. DOI: 10.1016/0022-2364(92)90362-B  0.442
1992 Smith SA, Palke WE, Gerig JT. The Hamiltonians of NMR. part I Concepts in Magnetic Resonance. 4: 107-144. DOI: 10.1002/CMR.1820040202  0.508
1978 Metiu H, Palke WE. The infrared spectroscopy of chemisorbed molecules; a dynamical theory of the line shape Journal of Chemical Physics. 69: 2574-2579. DOI: 10.1063/1.436902  0.304
1978 Parr RG, Donnelly RA, Levy M, Palke WE. Electronegativity: The density functional viewpoint The Journal of Chemical Physics. 68: 3801-3807. DOI: 10.1063/1.436185  0.341
1972 Palke WE. Calculation of the Internal Rotation Barrier and Its Derivatives in BH3NH3 Journal of Chemical Physics. 56: 5308-5312. DOI: 10.1063/1.1677036  0.373
1972 McCain DC, Palke WE. Calculation of Hyperfine Coupling Constants in Inorganic Radicals Journal of Chemical Physics. 56: 4957-4965. DOI: 10.1063/1.1676974  0.346
1971 Palke WE. Calculations of force constants and dipole moment derivatives in silane Chemical Physics Letters. 12: 150-153. DOI: 10.1016/0009-2614(71)80637-1  0.376
1970 Blint R, Goddard W, Ladner R, Palke W. A new type of wavefunction for BH Chemical Physics Letters. 5: 302-306. DOI: 10.1016/0009-2614(70)85147-8  0.457
1969 Palke WE, Goddard WA. Electronic Structure of LiH According to a Generalization of the Valence‐Bond Method The Journal of Chemical Physics. 50: 4524-4532. DOI: 10.1063/1.1670924  0.436
1967 Hegstrom RA, Palke WE, Lipscomb WN. Optimized Minimum Basis Set for BH4 Journal of Chemical Physics. 46: 920-922. DOI: 10.1063/1.1840827  0.59
1966 Palke WE, Lipscomb WN. Optimized Minimum‐Basis‐Set SCF Calculations on BH3 and B2H6 Journal of Chemical Physics. 45: 3948-3952. DOI: 10.1063/1.1727443  0.492
1966 Palke WE, Lipscomb WN. Molecular Self‐Consistent‐Field Calculations on B4H4 Journal of Chemical Physics. 45: 3945-3947. DOI: 10.1063/1.1727442  0.536
1966 Palke WE, Lipscomb WN. Molecular SCF Calculations on CH4, C2H2, C2H4, C2H6, BH3, B2H6, NH3, and HCN Journal of the American Chemical Society. 88: 2384-2393. DOI: 10.1021/Ja00963A004  0.391
1965 Newton MD, Boer FP, Palke WE, Lipscomb WN. NONEMPIRICAL MOLECULAR ORBITAL THEORY FROM MOLECULAR HARTREE-FOCK THEORY. Proceedings of the National Academy of Sciences of the United States of America. 53: 1089-91. PMID 16591272 DOI: 10.1073/Pnas.53.5.1089  0.382
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