Kirk SR - Search Results

1

The Cis-Effect Explained Using Next-Generation QTAIM.

Peng Y, Yu W, Feng X, Xu T, Früchtl H, van Mourik T, Kirk SR, Jenkins S. Peng Y, et al. Among authors: kirk sr. Molecules. 2022 Sep 18;27(18):6099. doi: 10.3390/molecules27186099. Molecules. 2022. PMID: 36144830 Free PMC article.

2

Spanning set of silica cluster isomer topologies from QTAIM.

Jenkins S, Rong C, Kirk SR, Yin D, Liu S. Jenkins S, et al. Among authors: kirk sr. J Phys Chem A. 2011 Nov 17;115(45):12503-11. doi: 10.1021/jp202294n. Epub 2011 May 10. J Phys Chem A. 2011. PMID: 21557588

3

Spanning QTAIM topology phase diagrams of water isomers W4, W5 and W6.

Jenkins S, Restrepo A, David J, Yin D, Kirk SR. Jenkins S, et al. Among authors: kirk sr. Phys Chem Chem Phys. 2011 Jun 28;13(24):11644-56. doi: 10.1039/c1cp20135b. Epub 2011 May 20. Phys Chem Chem Phys. 2011. PMID: 21603695

4

Pointing the way to the products? Comparison of the stress tensor and the second-derivative tensor of the electron density.

Guevara-García A, Echegaray E, Toro-Labbe A, Jenkins S, Kirk SR, Ayers PW. Guevara-García A, et al. Among authors: kirk sr. J Chem Phys. 2011 Jun 21;134(23):234106. doi: 10.1063/1.3599935. J Chem Phys. 2011. PMID: 21702549

5

Electronic stress as a guiding force for chemical bonding.

Guevara-García A, Ayers PW, Jenkins S, Kirk SR, Echegaray E, Toro-Labbe A. Guevara-García A, et al. Among authors: kirk sr. Top Curr Chem. 2014;351:103-24. doi: 10.1007/128_2011_193. Top Curr Chem. 2014. PMID: 21796514

6

Structures, energies and bonding in neutral and charged Li microclusters.

Yepes D, Kirk SR, Jenkins S, Restrepo A. Yepes D, et al. Among authors: kirk sr. J Mol Model. 2012 Sep;18(9):4171-89. doi: 10.1007/s00894-012-1406-3. Epub 2012 Apr 27. J Mol Model. 2012. PMID: 22538507

7

Exploring hydrogen bond in the excited state leading toward intramolecular proton transfer: detailed analysis of the structure and charge density topology along the reaction path using QTAIM.

Mitra S, Chandra AK, Gashnga PM, Jenkins S, Kirk SR. Mitra S, et al. Among authors: kirk sr. J Mol Model. 2012 Sep;18(9):4225-37. doi: 10.1007/s00894-012-1408-1. Epub 2012 May 4. J Mol Model. 2012. PMID: 22555772

8

The Ehrenfest force topology: a physically intuitive approach for analyzing chemical interactions.

Maza JR, Jenkins S, Kirk SR, Anderson JS, Ayers PW. Maza JR, et al. Among authors: kirk sr. Phys Chem Chem Phys. 2013 Nov 7;15(41):17823-36. doi: 10.1039/c3cp52687a. Phys Chem Chem Phys. 2013. PMID: 24045853

9

The response of the electronic structure to electronic excitation and double bond torsion in fulvene: a combined QTAIM, stress tensor and MO perspective.

Jenkins S, Blancafort L, Kirk SR, Bearpark MJ. Jenkins S, et al. Among authors: kirk sr. Phys Chem Chem Phys. 2014 Apr 21;16(15):7115-26. doi: 10.1039/c4cp00003j. Epub 2014 Mar 12. Phys Chem Chem Phys. 2014. PMID: 24618666

10

Hybrid QTAIM and electrostatic potential-based quantum topology phase diagrams for water clusters.

Kumar A, Gadre SR, Chenxia X, Tianlv X, Kirk SR, Jenkins S. Kumar A, et al. Among authors: kirk sr. Phys Chem Chem Phys. 2015 Jun 21;17(23):15258-73. doi: 10.1039/c5cp01039j. Phys Chem Chem Phys. 2015. PMID: 25992948

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

Text availability

Article attribute

Article type

Publication date

57 results

Search Page