Ab Initio Prediction of the Equilibrium Structure and Vibrational−Rotational Energy Levels of Fluorofulminate

Jacek Koput

doi:10.1021/jp026294n

Ab Initio Prediction of the Equilibrium Structure and Vibrational−Rotational Energy Levels of Fluorofulminate

The Journal of Physical Chemistry A ◽

10.1021/jp026294n ◽

2002 ◽

Vol 106 (50) ◽

pp. 12064-12066 ◽

Cited By ~ 3

Author(s):

Jacek Koput

Keyword(s):

Ab Initio ◽

Energy Levels ◽

Equilibrium Structure ◽

Rotational Energy ◽

Ab Initio Prediction

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Ab initio prediction of the potential energy surface and vibrational-rotational energy levels of dialuminum monoxide, Al[sub 2]O

The Journal of Chemical Physics ◽

10.1063/1.1755672 ◽

2004 ◽

Vol 121 (1) ◽

pp. 130 ◽

Cited By ~ 5

Author(s):

Jacek Koput ◽

Artur Gertych

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Rotational Energy ◽

Ab Initio Prediction

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Ab Initio Prediction of the Potential Energy Surface and Vibrational−Rotational Energy Levels of X2A‘ BeOH

The Journal of Physical Chemistry A ◽

10.1021/jp034292c ◽

2003 ◽

Vol 107 (19) ◽

pp. 3981-3986 ◽

Cited By ~ 11

Author(s):

Jacek Koput ◽

Kirk A. Peterson

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Rotational Energy ◽

Ab Initio Prediction

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Ab Initio Prediction of the Potential Energy Surface and Vibrational−Rotational Energy Levels of Calcium Dihydride, CaH2

The Journal of Physical Chemistry A ◽

10.1021/jp051240+ ◽

2005 ◽

Vol 109 (19) ◽

pp. 4410-4414 ◽

Cited By ~ 6

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Rotational Energy ◽

Ab Initio Prediction

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Ab initio prediction of the vibrational-rotational energy levels of hydrogen peroxide and its isotopomers

The Journal of Chemical Physics ◽

10.1063/1.1410976 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8345-8350 ◽

Cited By ~ 68

Author(s):

Jacek Koput ◽

Stuart Carter ◽

Nicholas C. Handy

Keyword(s):

Hydrogen Peroxide ◽

Ab Initio ◽

Energy Levels ◽

Rotational Energy ◽

Ab Initio Prediction

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Accurate ab initio prediction of the equilibrium geometry of HCO+ and of rovibration energy levels of DCO+

Molecular Physics ◽

10.1080/00268979650027234 ◽

1996 ◽

Vol 87 (4) ◽

pp. 879-898 ◽

Cited By ~ 7

Author(s):

CRISTINA PUZZARINI

Keyword(s):

Ab Initio ◽

Energy Levels ◽

Equilibrium Geometry ◽

Ab Initio Prediction

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Ab Initio Prediction of the Potential Energy Surface and Vibration−Rotation Energy Levels of CaCl2

The Journal of Physical Chemistry A ◽

10.1021/jp711785p ◽

2008 ◽

Vol 112 (12) ◽

pp. 2743-2746 ◽

Cited By ~ 3

Author(s):

Jacek Koput

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Ab Initio Prediction ◽

Vibration Rotation ◽

Rotation Energy

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Ab initio prediction of the potential energy surface and vibration-rotation energy levels of BeH2

The Journal of Chemical Physics ◽

10.1063/1.2212932 ◽

2006 ◽

Vol 125 (4) ◽

pp. 044306 ◽

Cited By ~ 29

Author(s):

Jacek Koput ◽

Kirk A. Peterson

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Energy Levels ◽

Ab Initio Prediction ◽

Vibration Rotation ◽

Rotation Energy

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Ab Initio Study on the Equilibrium Structure and CCN Bending Energy Levels of Cyanofulminate (NCCNO)

The Journal of Physical Chemistry A ◽

10.1021/jp013055b ◽

2001 ◽

Vol 105 (50) ◽

pp. 11347-11350 ◽

Cited By ~ 5

Author(s):

Jacek Koput

Keyword(s):

Ab Initio ◽

Energy Levels ◽

Equilibrium Structure ◽

Ab Initio Study ◽

Bending Energy

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Equilibrium Structure and Vibrational−Rotational Energy Levels of the X2A‘ SiOH/HSiO Radical System

The Journal of Physical Chemistry A ◽

10.1021/jp026838l ◽

2002 ◽

Vol 106 (50) ◽

pp. 12067-12071 ◽

Cited By ~ 4

Author(s):

Jacek Koput

Keyword(s):

Energy Levels ◽

Equilibrium Structure ◽

Rotational Energy

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CaF2 As a Quasilinear Molecule: The Vibrational—Rotational Energy Levels Predicted by ab initio Quantum Chemistry Approach.

ChemInform ◽

10.1002/chin.200452004 ◽

2004 ◽

Vol 35 (52) ◽

Author(s):

Jacek Koput ◽

Agnieszka Roszczak

Keyword(s):

Quantum Chemistry ◽

Ab Initio ◽

Energy Levels ◽

Rotational Energy

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