Tommy Liljefors, Ph.D - Publications

1994-2008 Medicinal Chemistry Danish School of Pharmacy 

17 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
2006 Balle T, Begtrup M, Jaroszewski JW, Liljefors T, Norrby PO. Regioselectivity in lithiation of 1-methylpyrazole: experimental, density functional theory and multinuclear NMR study. Organic & Biomolecular Chemistry. 4: 1261-7. PMID 16557314 DOI: 10.1039/B517607G  0.456
2004 Liljefors T, Gundertofte K, Norrby P, Pettersson I. Molecular Mechanics and Comparison of Force Fields Cheminform. 35. DOI: 10.1002/CHIN.200428296  0.447
2002 Jørgensen AT, Norrby PO, Liljefors T. Investigation of the metal binding site in methionine aminopeptidase by density functional theory. Journal of Computer-Aided Molecular Design. 16: 167-79. PMID 12363216 DOI: 10.1023/A:1020119527789  0.447
2001 Nielsen PA, Jaroszewski JW, Norrby PO, Liljefors T. An NMR and ab initio quantum chemical study of acid-base equilibria for conformationally constrained acidic alpha-amino acids in aqueous solution. Journal of the American Chemical Society. 123: 2003-6. PMID 11456822 DOI: 10.1021/Ja002926C  0.487
2000 Nielsen PA, Norrby PO, Liljefors T, Rega N, Barone V. Quantum mechanical conformational analysis of β-alanine zwitterion in aqueous solution Journal of the American Chemical Society. 122: 3151-3155. DOI: 10.1021/Ja992902+  0.498
1999 Norrby PO, Liljefors T. Strong decrease of the benzene-ammonium ion interaction upon complexation with a carboxylate anion Journal of the American Chemical Society. 121: 2303-2306. DOI: 10.1021/Ja984076V  0.448
1998 Boström J, Norrby PO, Liljefors T. Conformational energy penalties of protein-bound ligands. Journal of Computer-Aided Molecular Design. 12: 383-96. PMID 9777496 DOI: 10.1023/A:1008007507641  0.516
1998 Norrby P, Liljefors T. Automated Molecular Mechanics Parameterization With Simultaneous Utilization Of Experimental And Quantum Mechanical Data Journal of Computational Chemistry. 19: 1146-1166. DOI: 10.1002/(Sici)1096-987X(19980730)19:10<1146::Aid-Jcc4>3.0.Co;2-M  0.453
1997 Frydenvang K, Matzen L, Norrby PO, Sløk FA, Liljefors T, Krogsgaard-Larsen P, Jaroszewski JW. Structural characteristics of isoxazol-3-ol and isothiazol-3-ol, carboxy group bioisosteres examined by X-ray crystallography and ab initio calculations Journal of the Chemical Society. Perkin Transactions 2. 1783-1791. DOI: 10.1039/A700332C  0.497
1997 Liljefors T, Norrby PO. An ab initio study of the trimethylamine-formic acid and the trimethylammonium ion-formate anion complexes, their monohydrates, and continuum solvation Journal of the American Chemical Society. 119: 1052-1058. DOI: 10.1021/Ja9616692  0.492
1997 Brehm L, Frydenvang K, Hansen LM, Norrby P-, Krogsgaard-Larsen P, Liljefors T. Structural features of muscimol, a potent GABAA receptor agonist, crystal structure and quantum chemicalab initio calculations Structural Chemistry. 8: 443-451. DOI: 10.1007/BF02311703  0.453
1996 Gundertofte K, Liljefors T, Norrby PO, Pettersson I. A comparison of conformational energies calculated by several molecular mechanics methods Journal of Computational Chemistry. 17: 429-449. DOI: 10.1002/(Sici)1096-987X(199603)17:4<429::Aid-Jcc5>3.0.Co;2-W  0.511
1987 Liljefors T, Tai JC, Li S, Allinger NL. On the out-of-plane deformation of aromatic rings, and its representation by molecular mechanics Journal of Computational Chemistry. 8: 1051-1056. DOI: 10.1002/Jcc.540080713  0.398
1985 Liljefors T, Allinger NL. A note on torsional force constants in molecular mechanics for a methyl group attached to a conjugated system Journal of Computational Chemistry. 6: 478-480. DOI: 10.1002/Jcc.540060517  0.415
1978 Liljefors T, Allinger NL. Conformational analysis. 128. The Woodward-Fieser rules and .alpha.,.beta.-unsaturated ketones Journal of the American Chemical Society. 100: 1068-1073. DOI: 10.1021/Ja00472A008  0.38
1976 Liljefors T, Allinger NL. Conformational analysis. CXII. Conformations, energies, and electronic absorption spectra of .alpha.,.beta.-unsaturated aldehydes and ketones Journal of the American Chemical Society. 98: 2745-2749. DOI: 10.1021/Ja00426A012  0.432
1974 Allinger NL, Sprague JT, Liljefors T. Conformational analysis. CIV. Structures, energies, and electronic absorption spectra of the [n]paracyclophanes Journal of the American Chemical Society. 96: 5100-5104. DOI: 10.1021/Ja00823A014  0.422
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