(Q58739672)

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The molecular structure and vibrational spectrum of the cyclopropenyl cation, C3H+3, and its deuterated isotopomers

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The molecular structure and vibrational spectrum of the cyclopropenyl cation, C3H+3, and its deuterated isotopomers (English)

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author name string

Timothy J. Lee

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1

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Andrew Willetts

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2

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Jeffrey F. Gaw

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3

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Nicholas C. Handy

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4

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language of work or name

English

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publication date

15 April 1989

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published in

Journal of Chemical Physics

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volume

90

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issue

8

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page(s)

4330-4340

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cites work

Systematic study of molecular anions within the self‐consistent‐field approximation: OH−, CN−, C2H−, NH−2, and CH−3

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The geometry of small rings—IV

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The effects of triple and quadruple excitations in configuration interaction procedures for the quantum mechanical prediction of molecular properties

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21 January 2018

The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule

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21 January 2018

Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

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The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

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The Vibration‐Rotation Energy Levels of Polyatomic Molecules I. Mathematical Theory of Semirigid Asymmetrical Top Molecules

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21 January 2018

The infrared spectrum of the acetylene radical cation C2H+2. A theoretical study using SCF, MCSCF, and CI methods

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On the necessity offbasis functions for bending frequencies

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The analytic evaluation of energy first derivatives for two‐configuration self‐consistent‐field configuration interaction (TCSCF‐CI) wave functions. Application to ozone and ethylene

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Cyclopropenyl cation. Synthesis and characterization

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DOI

10.1063/1.456644

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(Q58739672)

The molecular structure and vibrational spectrum of the cyclopropenyl cation, C3H+3, and its deuterated isotopomers

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