Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

Mikko Hakala; Kseniya Marushkevich; Leonid Khriachtchev; Keijo Hämäläinen; Markku Räsänen

doi:10.1063/1.3533955

Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

Mikko Hakala, Kseniya Marushkevich, Leonid Khriachtchev, Keijo Hämäläinen, Markku Räsänen

Tutkimustuotos: Artikkelijulkaisu › Artikkeli › Tieteellinen › vertaisarvioitu

Alkuperäiskieli	englanti
Lehti	Journal of Chemical Physics
Vuosikerta	134
Numero	5
Sivut	054506
Sivumäärä	7
ISSN	0021-9606
DOI - pysyväislinkit	https://doi.org/10.1063/1.3533955
Tila	Julkaistu - 2011
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

Tieteenalat

116 Kemia
114 Fysiikka

Pääsy asiakirjaan

10.1063/1.3533955

Siteeraa tätä

Hakala, M., Marushkevich, K., Khriachtchev, L., Hämäläinen, K., & Räsänen, M. (2011). Experimental and computational study of crystalline formic acid composed of the higher-energy conformer. Journal of Chemical Physics, 134(5), 054506. https://doi.org/10.1063/1.3533955

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title = "Experimental and computational study of crystalline formic acid composed of the higher-energy conformer",

keywords = "INELASTIC NEUTRON-SCATTERING, AUGMENTED-WAVE METHOD, AB-INITIO, HYDROGEN-BOND, INFRARED SPECTRA, CIS-HCOOH, BASIS-SET, SOLIDS, STABILIZATION, POLYMORPHISM, 116 Chemical sciences, 114 Physical sciences",

author = "Mikko Hakala and Kseniya Marushkevich and Leonid Khriachtchev and Keijo H{\"a}m{\"a}l{\"a}inen and Markku R{\"a}s{\"a}nen",

year = "2011",

doi = "10.1063/1.3533955",

language = "English",

volume = "134",

pages = "054506",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "AVS",

number = "5",

}

Experimental and computational study of crystalline formic acid composed of the higher-energy conformer. / Hakala, Mikko; Marushkevich, Kseniya; Khriachtchev, Leonid; Hämäläinen, Keijo ; Räsänen, Markku.

julkaisussa: Journal of Chemical Physics, Vuosikerta 134, Nro 5, 2011, s. 054506.

Tutkimustuotos: Artikkelijulkaisu › Artikkeli › Tieteellinen › vertaisarvioitu

TY - JOUR

T1 - Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

AU - Hakala, Mikko

AU - Marushkevich, Kseniya

AU - Khriachtchev, Leonid

AU - Hämäläinen, Keijo

AU - Räsänen, Markku

PY - 2011

Y1 - 2011

KW - INELASTIC NEUTRON-SCATTERING

KW - AUGMENTED-WAVE METHOD

KW - AB-INITIO

KW - HYDROGEN-BOND

KW - INFRARED SPECTRA

KW - CIS-HCOOH

KW - BASIS-SET

KW - SOLIDS

KW - STABILIZATION

KW - POLYMORPHISM

KW - 116 Chemical sciences

KW - 114 Physical sciences

U2 - 10.1063/1.3533955

DO - 10.1063/1.3533955

M3 - Article

VL - 134

SP - 054506

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 5

ER -