Weinhold F - Search Results

1

Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data.

Edison AS, Markley JL, Weinhold F. Edison AS, et al. Among authors: weinhold f. J Biomol NMR. 1995 Apr;5(3):332. doi: 10.1007/BF00211763. J Biomol NMR. 1995. PMID: 22911507 No abstract available.

2

Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data.

Edison AS, Markley JL, Weinhold F. Edison AS, et al. Among authors: weinhold f. J Biomol NMR. 1994 Jul;4(4):519-42. doi: 10.1007/BF00156618. J Biomol NMR. 1994. PMID: 8075539

3

Estimates of phi and psi torsion angles in proteins from one-, two- and three-bond nuclear spin-spin couplings: application to staphylococcal nuclease.

Edison AS, Weinhold F, Westler WM, Markley JL. Edison AS, et al. Among authors: weinhold f. J Biomol NMR. 1994 Jul;4(4):543-51. doi: 10.1007/BF00156619. J Biomol NMR. 1994. PMID: 8075540

4

Trans-hydrogen-bond (h2)J(NN) and (h1)J(NH) couplings in the DNA A-T base pair: natural bond orbital analysis.

Wilkens SJ, Westler WM, Weinhold F, Markley JL. Wilkens SJ, et al. Among authors: weinhold f. J Am Chem Soc. 2002 Feb 20;124(7):1190-1. doi: 10.1021/ja017169c. J Am Chem Soc. 2002. PMID: 11841286

5

Quantum chemical calculations on structural models of the catalytic site of chymotrypsin: comparison of calculated results with experimental data from NMR spectroscopy.

Westler WM, Weinhold F, Markley JL. Westler WM, et al. Among authors: weinhold f. J Am Chem Soc. 2002 Dec 4;124(48):14373-81. doi: 10.1021/ja027735j. J Am Chem Soc. 2002. PMID: 12452711

6

Electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization.

Alabugin IV, Manoharan M, Peabody S, Weinhold F. Alabugin IV, et al. Among authors: weinhold f. J Am Chem Soc. 2003 May 14;125(19):5973-87. doi: 10.1021/ja034656e. J Am Chem Soc. 2003. PMID: 12733938

7

Origin of trans-bent geometries in maximally bonded transition metal and main group molecules.

Landis CR, Weinhold F. Landis CR, et al. Among authors: weinhold f. J Am Chem Soc. 2006 Jun 7;128(22):7335-45. doi: 10.1021/ja060992u. J Am Chem Soc. 2006. PMID: 16734489

8

Determination of the conformation of 2-hydroxy- and 2-aminobenzoic acid dimers using 13C NMR and density functional theory/natural bond order analysis: the central importance of the carboxylic acid carbon.

Burnette RR, Weinhold F. Burnette RR, et al. Among authors: weinhold f. J Phys Chem A. 2006 Jul 20;110(28):8832-9. doi: 10.1021/jp058300w. J Phys Chem A. 2006. PMID: 16836447

9

Resonance bonding patterns of peroxide chemistry: cyclic three-center hyperbonding in "phosphadioxirane" intermediates.

Wilke JJ, Weinhold F. Wilke JJ, et al. Among authors: weinhold f. J Am Chem Soc. 2006 Sep 13;128(36):11850-9. doi: 10.1021/ja060676f. J Am Chem Soc. 2006. PMID: 16953625

10

Hyperfine-shifted 13C resonance assignments in an iron-sulfur protein with quantum chemical verification: aliphatic C-H···S 3-center-4-electron interactions.

Westler WM, Lin IJ, Perczel A, Weinhold F, Markley JL. Westler WM, et al. Among authors: weinhold f. J Am Chem Soc. 2011 Feb 9;133(5):1310-6. doi: 10.1021/ja1049059. Epub 2011 Jan 5. J Am Chem Soc. 2011. PMID: 21207994 Free PMC article.

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