Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

Johan Smets; Dayle M.A. Smith; Ludwik Adamowicz

doi:10.1016/S0009-2614(98)01163-4

Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

Johan Smets
, Dayle M.A. Smith
, Ludwik Adamowicz

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.

Original language	English (US)
Pages (from-to)	451-457
Number of pages	7
Journal	Chemical Physics Letters
Volume	297
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(98)01163-4
State	Published - Dec 4 1998

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0009-2614(98)01163-4

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title = "Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers",

abstract = "Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.",

author = "Johan Smets and Smith, \{Dayle M.A.\} and Ludwik Adamowicz",

note = "Funding Information: Support for this work came from the National Science Foundation.",

year = "1998",

month = dec,

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doi = "10.1016/S0009-2614(98)01163-4",

language = "English (US)",

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journal = "Chemical Physics Letters",

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publisher = "Elsevier B.V.",

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T1 - Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

AU - Smets, Johan

AU - Smith, Dayle M.A.

AU - Adamowicz, Ludwik

N1 - Funding Information: Support for this work came from the National Science Foundation.

PY - 1998/12/4

Y1 - 1998/12/4

N2 - Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.

AB - Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.

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UR - https://www.scopus.com/pages/publications/0007849585#tab=citedBy

U2 - 10.1016/S0009-2614(98)01163-4

DO - 10.1016/S0009-2614(98)01163-4

M3 - Article

AN - SCOPUS:0007849585

SN - 0009-2614

VL - 297

SP - 451

EP - 457

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

Abstract

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