Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces

Evenhuis CR, Manthe U (2008)
JOURNAL OF CHEMICAL PHYSICS 129(2): 24104.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Evenhuis, Christian R.; Manthe, UweUniBi
Erscheinungsjahr
2008
Zeitschriftentitel
JOURNAL OF CHEMICAL PHYSICS
Band
129
Ausgabe
2
Art.-Nr.
24104
ISSN
0021-9606
Page URI
https://pub.uni-bielefeld.de/record/1897007

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Evenhuis CR, Manthe U. Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 2008;129(2): 24104.
Evenhuis, C. R., & Manthe, U. (2008). Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS, 129(2), 24104. https://doi.org/10.1063/1.2951988
Evenhuis, Christian R., and Manthe, Uwe. 2008. “Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces”. JOURNAL OF CHEMICAL PHYSICS 129 (2): 24104.
Evenhuis, C. R., and Manthe, U. (2008). Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS 129:24104.
Evenhuis, C.R., & Manthe, U., 2008. Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS, 129(2): 24104.
C.R. Evenhuis and U. Manthe, “Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces”, JOURNAL OF CHEMICAL PHYSICS, vol. 129, 2008, : 24104.
Evenhuis, C.R., Manthe, U.: Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 129, : 24104 (2008).
Evenhuis, Christian R., and Manthe, Uwe. “Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces”. JOURNAL OF CHEMICAL PHYSICS 129.2 (2008): 24104.

63 References

Daten bereitgestellt von Europe PubMed Central.

Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.
McCoy AB, Huang X, Carter S, Landeweer MY, Bowman JM., J Chem Phys 122(6), 2005
PMID: 15740358
Ab initio potential energy and dipole moment surfaces for H5O2 +.
Huang X, Braams BJ, Bowman JM., J Chem Phys 122(4), 2005
PMID: 15740249
Ab initio potential energy and dipole moment surfaces of (H2O)2.
Huang X, Braams BJ, Bowman JM., J Phys Chem A 110(2), 2006
PMID: 16405316

Sharma, J Chem Phys 125(), 2007

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
Using neural networks to represent potential surfaces as sums of products.
Manzhos S, Carrington T Jr., J Chem Phys 125(19), 2006
PMID: 17129087

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex.
van der Avoird A, Bondo Pedersen T, Dhont GS, Fernandez B, Koch H., J Chem Phys 124(20), 2006
PMID: 16774340
Ab initio computed diabatic potential energy surfaces of OH-HCl.
Wormer PE, Klos JA, Groenenboom GC, van der Avoird A., J Chem Phys 122(24), 2005
PMID: 16035775

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1,2-ethanediol.
Crittenden DL, Thompson KC, Jordan MJ., J Phys Chem A 109(12), 2005
PMID: 16833617
CH5+: chemistry's chameleon unmasked.
Thompson KC, Crittenden DL, Jordan MJ., J. Am. Chem. Soc. 127(13), 2005
PMID: 15796561

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
Highly accurate potential-energy and dipole moment surfaces for vibrational state calculations of methane.
Oyanagi C, Yagi K, Taketsugu T, Hirao K., J Chem Phys 124(6), 2006
PMID: 16483211

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

Press, 1989

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
Interpolation of multidimensional diabatic potential energy matrices.
Godsi O, Evenhuis CR, Collins MA., J Chem Phys 125(10), 2006
PMID: 16999513

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

Murrell, 1984

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
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