Bickelhaupt FM - Search Results

1

Conformational behavior of basic monomeric building units of glycosaminoglycans: isolated systems and solvent effect.

Remko M, Swart M, Bickelhaupt FM. Remko M, et al. Among authors: bickelhaupt fm. J Phys Chem B. 2007 Mar 8;111(9):2313-21. doi: 10.1021/jp0646271. Epub 2007 Feb 13. J Phys Chem B. 2007. PMID: 17295532

2

Hydrogen bonds of RNA are stronger than those of DNA, but NMR monitors only presence of methyl substituent in uracil/thymine.

Swart M, Fonseca Guerra C, Bickelhaupt FM. Swart M, et al. Among authors: bickelhaupt fm. J Am Chem Soc. 2004 Dec 29;126(51):16718-9. doi: 10.1021/ja045276b. J Am Chem Soc. 2004. PMID: 15612698

3

Multicomponent synthesis of 2-imidazolines.

Bon RS, van Vliet B, Sprenkels NE, Schmitz RF, de Kanter FJ, Stevens CV, Swart M, Bickelhaupt FM, Groen MB, Orru RV. Bon RS, et al. Among authors: bickelhaupt fm. J Org Chem. 2005 Apr 29;70(9):3542-53. doi: 10.1021/jo050132g. J Org Chem. 2005. PMID: 15844989 Free article.

4

Theoretical study of structure, pKa, lipophilicity, solubility, absorption, and polar surface area of some centrally acting antihypertensives.

Remko M, Swart M, Bickelhaupt FM. Remko M, et al. Among authors: bickelhaupt fm. Bioorg Med Chem. 2006 Mar 15;14(6):1715-28. doi: 10.1016/j.bmc.2005.10.020. Epub 2005 Nov 2. Bioorg Med Chem. 2006. PMID: 16263295

5

Proton affinities of maingroup-element hydrides and noble gases: trends across the periodic table, structural effects, and DFT validation.

Swart M, Rösler E, Bickelhaupt FM. Swart M, et al. Among authors: bickelhaupt fm. J Comput Chem. 2006 Oct;27(13):1486-93. doi: 10.1002/jcc.20431. J Comput Chem. 2006. PMID: 16823810

6

Nucleophilic substitution at phosphorus (S(N)2@P): disappearance and reappearance of reaction barriers.

van Bochove MA, Swart M, Bickelhaupt FM. van Bochove MA, et al. Among authors: bickelhaupt fm. J Am Chem Soc. 2006 Aug 23;128(33):10738-44. doi: 10.1021/ja0606529. J Am Chem Soc. 2006. PMID: 16910668

7

Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods.

Swart M, Solà M, Bickelhaupt FM. Swart M, et al. Among authors: bickelhaupt fm. J Comput Chem. 2007 Jul 15;28(9):1551-1560. doi: 10.1002/jcc.20653. J Comput Chem. 2007. PMID: 17342711

8

Pi-pi stacking tackled with density functional theory.

Swart M, van der Wijst T, Fonseca Guerra C, Bickelhaupt FM. Swart M, et al. Among authors: bickelhaupt fm. J Mol Model. 2007 Dec;13(12):1245-57. doi: 10.1007/s00894-007-0239-y. Epub 2007 Sep 15. J Mol Model. 2007. PMID: 17874150 Free PMC article.

9

QUILD: QUantum-regions interconnected by local descriptions.

Swart M, Bickelhaupt FM. Swart M, et al. Among authors: bickelhaupt fm. J Comput Chem. 2008 Apr 15;29(5):724-34. doi: 10.1002/jcc.20834. J Comput Chem. 2008. PMID: 17902157

10

Nucleophilic substitution at phosphorus centers (SN2@p).

van Bochove MA, Swart M, Bickelhaupt FM. van Bochove MA, et al. Among authors: bickelhaupt fm. Chemphyschem. 2007 Dec 3;8(17):2452-63. doi: 10.1002/cphc.200700488. Chemphyschem. 2007. PMID: 17990249

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

303 results

Search Page

Filters