(Q46540300)

English

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

scientific article published in June 2008

In more languages

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface (English)

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

potential energy

1 reference

based on heuristic

inferred from title

Bastiaan J. Braams

2

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

object named as

David P Tew

5

0 references

author name string

Yimin Wang

1

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

Joel M Bowman

3

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

Stuart Carter

4

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

language of work or name

0 references

publication date

1 June 2008

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

128

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

22

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

224314

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination.

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

The pivot algorithm: A highly efficient Monte Carlo method for the self-avoiding walk

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

Electronic structure calculations on workstation computers: The program system turbomole

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach.

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

A reaction surface Hamiltonian study of malonaldehyde.

1 reference

https://api.crossref.org/works/10.1063%2F1.2937732

21 January 2018

Identifiers

10.1063/1.2937732

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

23 December 2017

http://europepmc.org/abstract/MED/18554020

ResearchGate publication ID

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q46540300&oldid=2116964575"