(Q47339578)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17129134%20AND%20SRC:MED&resulttype=core&format=json

22 December 2019

title

Can the pH value of water solutions be estimated by quantum chemical calculations of small water clusters? (English)

1 reference

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22 December 2019

1 reference

1

1 reference

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22 December 2019

author name string

Jaroslav V Burda

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17129134%20AND%20SRC:MED&resulttype=core&format=json

22 December 2019

language of work or name

English

0 references

publication date

1 November 2006

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17129134%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

22 December 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17129134%20AND%20SRC:MED&resulttype=core&format=json

22 December 2019

volume

125

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17129134%20AND%20SRC:MED&resulttype=core&format=json

22 December 2019

issue

19

1 reference

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22 December 2019

page(s)

194518

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22 December 2019

1 reference

An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water.

21 January 2018

1 reference

An ab initio study of tunneling splittings in the water dimer

21 January 2018

1 reference

Dynamics of the concerted triple proton transfer in cyclic water trimer using the multiconfiguration molecular mechanics algorithm.

21 January 2018

1 reference

Structure and Stability of Water Clusters (H2O)n,n= 8−20: An Ab Initio Investigation

21 January 2018

1 reference

Experimental Energy Levels of the Water Molecule

21 January 2018

1 reference

On equilibrium structures of the water molecule

21 January 2018

1 reference

Influence of water molecules arrangement on structure and stability of 512 and 51262 buckyball water clusters. A theoretical study

21 January 2018

1 reference

Structures, binding energies, and spectra of isoenergetic water hexamer clusters: Extensive ab initio studies

21 January 2018

1 reference

Structures and energetics of the water heptamer: Comparison with the water hexamer and octamer

21 January 2018

1 reference

Entropy-driven structures of the water octamer

21 January 2018

1 reference

Water-cluster distribution with respect to pressure and temperature in the gas phase

21 January 2018

1 reference

Characterization of a cage form of the water hexamer

21 January 2018

1 reference

Efficient global geometry optimization of clusters

21 January 2018

1 reference

Size-dependent transition from all-surface to interior-molecule structures in pure neutral water clusters

21 January 2018

1 reference

Global Geometry Optimization of Molecular Clusters: TIP4P Water

21 January 2018

1 reference