Bakó I - Search Results

1

On Dipole Moments and Hydrogen Bond Identification in Water Clusters.

Bakó I, Mayer I. Bakó I, et al. J Phys Chem A. 2016 Jun 30;120(25):4408-17. doi: 10.1021/acs.jpca.6b03187. Epub 2016 Jun 17. J Phys Chem A. 2016. PMID: 27280888

2

Car-parrinello molecular dynamics simulation of liquid formic acid.

Bakó I, Hutter J, Pálinkás G. Bakó I, et al. J Phys Chem A. 2006 Feb 16;110(6):2188-94. doi: 10.1021/jp0546352. J Phys Chem A. 2006. PMID: 16466255

3

Water-methanol mixtures: topology of hydrogen bonded network.

Bakó I, Megyes T, Bálint S, Grósz T, Chihaia V. Bakó I, et al. Phys Chem Chem Phys. 2008 Aug 28;10(32):5004-11. doi: 10.1039/b808326f. Epub 2008 Jul 8. Phys Chem Chem Phys. 2008. PMID: 18688546

4

Solution structure of NaNO3 in water: diffraction and molecular dynamics simulation study.

Megyes T, Bálint S, Peter E, Grósz T, Bakó I, Krienke H, Bellissent-Funel MC. Megyes T, et al. Among authors: bako i. J Phys Chem B. 2009 Apr 2;113(13):4054-64. doi: 10.1021/jp806411c. J Phys Chem B. 2009. PMID: 19231825

5

Are there atomic orbitals in a molecule?

Mayer I, Bakó I, Stirling A. Mayer I, et al. Among authors: bako i. J Phys Chem A. 2011 Nov 17;115(45):12733-7. doi: 10.1021/jp2036923. Epub 2011 Jun 23. J Phys Chem A. 2011. PMID: 21699211

6

Hydrogen bond network topology in liquid water and methanol: a graph theory approach.

Bakó I, Bencsura A, Hermannson K, Bálint S, Grósz T, Chihaia V, Oláh J. Bakó I, et al. Phys Chem Chem Phys. 2013 Sep 28;15(36):15163-71. doi: 10.1039/c3cp52271g. Phys Chem Chem Phys. 2013. PMID: 23925551

7

Hierarchy of the Collective Effects in Water Clusters.

Bakó I, Mayer I. Bakó I, et al. J Phys Chem A. 2016 Feb 4;120(4):631-8. doi: 10.1021/acs.jpca.5b10053. Epub 2016 Jan 20. J Phys Chem A. 2016. PMID: 26771891

8

Many-Body Energy Decomposition with Basis Set Superposition Error Corrections.

Mayer I, Bakó I. Mayer I, et al. Among authors: bako i. J Chem Theory Comput. 2017 May 9;13(5):1883-1886. doi: 10.1021/acs.jctc.7b00303. Epub 2017 Apr 26. J Chem Theory Comput. 2017. PMID: 28437074

9

Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory.

Mayer I, Pápai I, Bakó I, Nagy Á. Mayer I, et al. Among authors: bako i. J Chem Theory Comput. 2017 Sep 12;13(9):3961-3963. doi: 10.1021/acs.jctc.7b00562. Epub 2017 Aug 25. J Chem Theory Comput. 2017. PMID: 28834682

10

Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces.

Zhou T, McCue A, Ghadar Y, Bakó I, Clark AE. Zhou T, et al. Among authors: bako i. J Phys Chem B. 2017 Sep 28;121(38):9052-9062. doi: 10.1021/acs.jpcb.7b07406. Epub 2017 Sep 19. J Phys Chem B. 2017. PMID: 28871781

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