(Q80369330)

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Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters

scientific article published on 01 February 2004

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

Atom-bond electronegativity equalization method fused into molecular mechanics. I. A seven-site fluctuating charge and flexible body water potential function for water clusters (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

author name string

Zhong-Zhi Yang

1

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

Yang Wu

2

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

Dong-Xia Zhao

3

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

publication date

1 February 2004

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31 December 2019

Journal of Chemical Physics

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

120

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31 December 2019

6

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31 December 2019

2541-2557

1 reference

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PubMed publication ID

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31 December 2019

Measurement of quantum tunneling between chiral isomers of the cyclic water trimer

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Characterization of a cage form of the water hexamer

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Quantifying hydrogen bond cooperativity in water: VRT spectroscopy of the water tetramer.

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Pseudorotation in Water Trimer Isotopomers Using Terahertz Laser Spectroscopy

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Terahertz Laser Vibration−Rotation Tunneling Spectroscopy of the Water Tetramer

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Spectroscopic determination of the water pair potential

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

The water trimer

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Atomic Charges of the Water Molecule and the Water Dimer

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Basis set convergence of the interaction energy of hydrogen-bonded complexes

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Cooperative effects in simulated water

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Polarizable force fields

1 reference

https://api.crossref.org/works/10.1063%2F1.1640345

21 January 2018

Identifiers

10.1063/1.1640345

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:15268398%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

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