Are there neutral helium compounds which are stable in their ground state?. A theoretical investigation of HeBCH and HeBeO

Wolfram Koch; Jack R. Collins; Gemot Frenking

doi:10.1016/0009-2614(86)80134-8

Are there neutral helium compounds which are stable in their ground state?. A theoretical investigation of HeBCH and HeBeO

Wolfram Koch, Jack R. Collins, Gemot Frenking

科研成果: 期刊稿件 › 文章 › 同行评审

66 引用（Scopus）

摘要

At the MP4(SDTQ)/6-311G^{{black star}{black star}}//MP2/6-31G^{{black star}{black star}}+ ZPE level of theory, HeBCH is predicted to be unstable towards helium dissociation by -6.0 kcal mol, but HeBeO is calculated to be a stable molecule by + 3.2 kcal mol. Convened to the reaction enthalpy, the latter value increases to + 3.9 kcal mol.

源语言	英语
页（从-至）	330-333
页数	4
期刊	Chemical Physics Letters
卷	132
期	3
DOI	https://doi.org/10.1016/0009-2614(86)80134-8
出版状态	已出版 - 12 12月 1986
已对外发布	是

访问文件

10.1016/0009-2614(86)80134-8

其它文件与链接

链接到 Scopus 的出版物

引用此

@article{da1b66dc3e6b4561a0d9cbf51a81c94c,

title = "Are there neutral helium compounds which are stable in their ground state?. A theoretical investigation of HeBCH and HeBeO",

abstract = "At the MP4(SDTQ)/6-311G{black star}{black star}//MP2/6-31G{black star}{black star}+ ZPE level of theory, HeBCH is predicted to be unstable towards helium dissociation by -6.0 kcal mol, but HeBeO is calculated to be a stable molecule by + 3.2 kcal mol. Convened to the reaction enthalpy, the latter value increases to + 3.9 kcal mol.",

author = "Wolfram Koch and Collins, {Jack R.} and Gemot Frenking",

year = "1986",

month = dec,

day = "12",

doi = "10.1016/0009-2614(86)80134-8",

language = "英语",

volume = "132",

pages = "330--333",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "3",

}

TY - JOUR

T1 - Are there neutral helium compounds which are stable in their ground state?. A theoretical investigation of HeBCH and HeBeO

AU - Koch, Wolfram

AU - Collins, Jack R.

AU - Frenking, Gemot

PY - 1986/12/12

Y1 - 1986/12/12

N2 - At the MP4(SDTQ)/6-311G{black star}{black star}//MP2/6-31G{black star}{black star}+ ZPE level of theory, HeBCH is predicted to be unstable towards helium dissociation by -6.0 kcal mol, but HeBeO is calculated to be a stable molecule by + 3.2 kcal mol. Convened to the reaction enthalpy, the latter value increases to + 3.9 kcal mol.

AB - At the MP4(SDTQ)/6-311G{black star}{black star}//MP2/6-31G{black star}{black star}+ ZPE level of theory, HeBCH is predicted to be unstable towards helium dissociation by -6.0 kcal mol, but HeBeO is calculated to be a stable molecule by + 3.2 kcal mol. Convened to the reaction enthalpy, the latter value increases to + 3.9 kcal mol.

UR - http://www.scopus.com/inward/record.url?scp=0001172014&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(86)80134-8

DO - 10.1016/0009-2614(86)80134-8

M3 - 文章

AN - SCOPUS:0001172014

SN - 0009-2614

VL - 132

SP - 330

EP - 333

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3

ER -

Are there neutral helium compounds which are stable in their ground state?. A theoretical investigation of HeBCH and HeBeO

摘要

访问文件

其它文件与链接

指纹

引用此