(Q29014229)

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Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer

scientific article (publication date: 14 April 2009)

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scholarly article

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Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer (English)

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https://doi.org/10.1063%2F1.3112403

23 March 2017

potential energy

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Bastiaan J. Braams

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Bastiaan J. Braams

4

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Alex Shank

1

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https://doi.org/10.1063%2F1.3112403

23 March 2017

Yimin Wang

2

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https://doi.org/10.1063%2F1.3112403

23 March 2017

Alexey Kaledin

3

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https://doi.org/10.1063%2F1.3112403

23 March 2017

Joel M. Bowman

5

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23 March 2017

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publication date

14 April 2009

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https://doi.org/10.1063%2F1.3112403

23 March 2017

Journal of Chemical Physics

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23 March 2017

130

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23 March 2017

14

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23 March 2017

144314

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23 March 2017

Quantum chemistry by random walk. H 2P, H+3 D3h 1A′1, H2 3Σ+u, H4 1Σ+g, Be 1S

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https://api.crossref.org/works/10.1063%2F1.3112403

23 May 2017

Equation of State Calculations by Fast Computing Machines

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https://api.crossref.org/works/10.1063%2F1.3112403

23 May 2017

Effective interaction energy of water dimer at room temperature: an experimental and theoretical study.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Ab initio potential energy and dipole moment surfaces of (H2O)2.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

MULTIMODE quantum calculations of intramolecular vibrational energies of the water dimer and trimer using ab initio-based potential energy surfaces.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Ab initio potential energy and dipole moment surfaces for H5O2 +.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Ab initio global potential-energy surface for H5(+) --> H3(+) + H2.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Comparison of classical, new corrected-classical, and semiclassical IR spectra of non-rotating H2O with quantum calculations

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water.

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Calculation of the O−H Stretching Vibrational Overtone Spectrum of the Water Dimer

1 reference

https://api.crossref.org/works/10.1063%2F1.3112403

21 January 2018

Identifiers

10.1063/1.3112403

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DOI.org query endpoint

https://doi.org/10.1063%2F1.3112403

23 March 2017

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