Mata RA - Search Results

1

Setting up the HyDRA blind challenge for the microhydration of organic molecules.

Fischer TL, Bödecker M, Zehnacker-Rentien A, Mata RA, Suhm MA. Fischer TL, et al. Among authors: mata ra. Phys Chem Chem Phys. 2022 May 18;24(19):11442-11454. doi: 10.1039/d2cp01119k. Phys Chem Chem Phys. 2022. PMID: 35522931 Review.

2

Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes.

Mata RA. Mata RA. Phys Chem Chem Phys. 2010 May 21;12(19):5041-52. doi: 10.1039/b918608e. Epub 2010 Mar 2. Phys Chem Chem Phys. 2010. PMID: 20445906

3

Structural diversity in sodium doped water trimers.

Forck RM, Dieterich JM, Pradzynski CC, Huchting AL, Mata RA, Zeuch T. Forck RM, et al. Among authors: mata ra. Phys Chem Chem Phys. 2012 Jul 7;14(25):9054-7. doi: 10.1039/c2cp41066d. Epub 2012 May 29. Phys Chem Chem Phys. 2012. PMID: 22641269

4

The last globally stable extended alkane.

Lüttschwager NO, Wassermann TN, Mata RA, Suhm MA. Lüttschwager NO, et al. Among authors: mata ra. Angew Chem Int Ed Engl. 2013 Jan 2;52(1):463-6. doi: 10.1002/anie.201202894. Epub 2012 Aug 21. Angew Chem Int Ed Engl. 2013. PMID: 22907923

5

A push-and-pull model for allosteric anion binding in cage complexes.

Dieterich JM, Clever GH, Mata RA. Dieterich JM, et al. Among authors: mata ra. Phys Chem Chem Phys. 2012 Oct 5;14(37):12746-9. doi: 10.1039/c2cp41793f. Phys Chem Chem Phys. 2012. PMID: 22910769

6

Study of ligand effects in aurophilic interactions using local correlation methods.

Andrejić M, Mata RA. Andrejić M, et al. Among authors: mata ra. Phys Chem Chem Phys. 2013 Nov 7;15(41):18115-22. doi: 10.1039/c3cp52931b. Phys Chem Chem Phys. 2013. PMID: 24061432

7

Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: harmonic constraints for methanol dimer.

Heger M, Suhm MA, Mata RA. Heger M, et al. Among authors: mata ra. J Chem Phys. 2014 Sep 14;141(10):101105. doi: 10.1063/1.4895728. J Chem Phys. 2014. PMID: 25217897

8

Helium nanodroplet study of the hydrogen-bonded OH vibrations in HCl-H₂O clusters.

Zischang J, Skvortsov D, Choi MY, Mata RA, Suhm MA, Vilesov AF. Zischang J, et al. Among authors: mata ra. J Phys Chem A. 2015 Mar 19;119(11):2636-43. doi: 10.1021/jp509683g. Epub 2014 Dec 5. J Phys Chem A. 2015. PMID: 25383705

9

Bracketing subtle conformational energy differences between self-solvated and stretched trifluoropropanol.

Heger M, Otto KE, Mata RA, Suhm MA. Heger M, et al. Among authors: mata ra. Phys Chem Chem Phys. 2015 Apr 21;17(15):9899-909. doi: 10.1039/c4cp05868b. Phys Chem Chem Phys. 2015. PMID: 25776939

10

Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?

Mata RA, Suhm MA. Mata RA, et al. Angew Chem Int Ed Engl. 2017 Sep 4;56(37):11011-11018. doi: 10.1002/anie.201611308. Epub 2017 Apr 28. Angew Chem Int Ed Engl. 2017. PMID: 28452424 Free PMC article. Review.

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