Beth A. Caine - Search Results

Year	Number of Results
2016	2
2018	1
2019	1
2020	1
2021	1
2023	0

1

Enhancing Carbon Acid pK_a Prediction by Augmentation of Sparse Experimental Datasets with Accurate AIBL (QM) Derived Values.

Plante J, Caine BA, Popelier PLA. Plante J, et al. Among authors: caine ba. Molecules. 2021 Feb 17;26(4):1048. doi: 10.3390/molecules26041048. Molecules. 2021. PMID: 33671348 Free PMC article.

2

Experiment stands corrected: accurate prediction of the aqueous pK _a values of sulfonamide drugs using equilibrium bond lengths.

Caine BA, Bronzato M, Popelier PLA. Caine BA, et al. Chem Sci. 2019 May 29;10(25):6368-6381. doi: 10.1039/c9sc01818b. eCollection 2019 Jul 7. Chem Sci. 2019. PMID: 31341593 Free PMC article.

3

Aqueous pK_a prediction for tautomerizable compounds using equilibrium bond lengths.

Caine BA, Bronzato M, Fraser T, Kidley N, Dardonville C, Popelier PLA. Caine BA, et al. Commun Chem. 2020 Feb 12;3(1):21. doi: 10.1038/s42004-020-0264-7. Commun Chem. 2020. PMID: 36703356 Free PMC article.

4

The computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solution.

Cardamone S, Caine BA, Blanch E, Lizio MG, Popelier PL. Cardamone S, et al. Among authors: caine ba. Phys Chem Chem Phys. 2016 Oct 5;18(39):27377-27389. doi: 10.1039/c6cp05744f. Phys Chem Chem Phys. 2016. PMID: 27711623

5

Prediction of Aqueous pK _a Values for Guanidine-Containing Compounds Using Ab Initio Gas-Phase Equilibrium Bond Lengths.

Caine BA, Dardonville C, Popelier PLA. Caine BA, et al. ACS Omega. 2018 Apr 5;3(4):3835-3850. doi: 10.1021/acsomega.8b00142. eCollection 2018 Apr 30. ACS Omega. 2018. PMID: 31458625 Free PMC article.

6

The AIBLHiCoS Method: Predicting Aqueous pKa Values from Gas-Phase Equilibrium Bond Lengths.

Anstöter C, Caine BA, Popelier PL. Anstöter C, et al. Among authors: caine ba. J Chem Inf Model. 2016 Mar 28;56(3):471-83. doi: 10.1021/acs.jcim.5b00580. Epub 2016 Feb 15. J Chem Inf Model. 2016. PMID: 26818245 Free article.

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 NCBI Filters

Results by year

Text availability

Article attribute

Article type

Publication date

6 results

Results by year

Search Page

Filters

My NCBI Filters

Results by year

Text availability

Article attribute

Article type

Publication date

Search Results

6 results

Results by year