Clark AE - Search Results

1

Analysis of wave functions for open-shell molecules.

Davidson ER, Clark AE. Davidson ER, et al. Among authors: clark ae. Phys Chem Chem Phys. 2007 Apr 28;9(16):1881-94. doi: 10.1039/b616481c. Epub 2007 Feb 5. Phys Chem Chem Phys. 2007. PMID: 17431517 Review.

2

p-Benzyne derivatives that have exceptionally small singlet-triplet gaps and even a triplet ground state.

Clark AE, Davidson ER. Clark AE, et al. J Org Chem. 2003 May 2;68(9):3387-96. doi: 10.1021/jo026824b. J Org Chem. 2003. PMID: 12713336

3

A TDDFT description of the low-energy excited states of copper and zinc metalloenediynes.

Clark AE, Davidson ER, Zaleski JM. Clark AE, et al. Chem Commun (Camb). 2003 Dec 7;(23):2876-7. doi: 10.1039/b308633j. Chem Commun (Camb). 2003. PMID: 14680219

4

Coupled-cluster, Möller Plesset (MP2), density fitted local MP2, and density functional theory examination of the energetic and structural features of hydrophobic solvation: water and pentane.

Ghadar Y, Clark AE. Ghadar Y, et al. Among authors: clark ae. J Chem Phys. 2012 Feb 7;136(5):054305. doi: 10.1063/1.3679933. J Chem Phys. 2012. PMID: 22320740

5

Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

Ghadar Y, Clark AE. Ghadar Y, et al. Among authors: clark ae. Phys Chem Chem Phys. 2014 Jun 28;16(24):12475-87. doi: 10.1039/c4cp00602j. Phys Chem Chem Phys. 2014. PMID: 24828955

6

Correction: Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

Ghadar Y, Clark AE. Ghadar Y, et al. Among authors: clark ae. Phys Chem Chem Phys. 2015 Jul 7;17(25):16646. doi: 10.1039/c5cp90093j. Epub 2015 Jun 8. Phys Chem Chem Phys. 2015. PMID: 26052822

7

Resolving local configurational contributions to X-ray and neutron radial distribution functions within solutions of concentrated electrolytes - a case study of concentrated NaOH.

Semrouni D , Wang HW , Clark SB , Pearce CI , Page K , Schenter G , Wesolowski DJ , Stack AG , Clark AE . Semrouni D , et al. Among authors: clark ae, clark sb. Phys Chem Chem Phys. 2019 Mar 27;21(13):6828-6838. doi: 10.1039/c8cp06802j. Phys Chem Chem Phys. 2019. PMID: 30620014

8

Hierarchical phenomena in multicomponent liquids: simulation methods, analysis, chemistry.

Servis MJ , Martinez-Baez E , Clark AE . Servis MJ , et al. Among authors: clark ae. Phys Chem Chem Phys. 2020 May 14;22(18):9850-9874. doi: 10.1039/d0cp00164c. Epub 2020 Mar 10. Phys Chem Chem Phys. 2020. PMID: 32154813

9

pH dependent reactivity of boehmite surfaces from first principles molecular dynamics.

Smith W, Pouvreau M, Rosso K, Clark AE. Smith W, et al. Among authors: clark ae. Phys Chem Chem Phys. 2022 Jun 15;24(23):14177-14186. doi: 10.1039/d2cp00534d. Phys Chem Chem Phys. 2022. PMID: 35583197

10

Trends in aqueous hydration across the 4f period assessed by reliable computational methods.

Kuta J, Clark AE. Kuta J, et al. Among authors: clark ae. Inorg Chem. 2010 Sep 6;49(17):7808-17. doi: 10.1021/ic100623y. Inorg Chem. 2010. PMID: 20677816

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