Vibrational Spectra, Ab Initio Calculations, and Ring-Puckering Potential Energy Function for γ-Crotonolactone

The Journal of Physical Chemistry A ◽

10.1021/jp068601l ◽

2007 ◽

Vol 111 (17) ◽

pp. 3302-3305 ◽

Author(s):

Abdulaziz A. Al-Saadi ◽

Jaan Laane

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Vibrational Spectra ◽

Energy Function ◽

Potential Energy Function ◽

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Far-Infrared Spectra, ab Initio Calculations, and the Ring-Puckering Potential Energy Function of 2,3-Dihydrofuran

The Journal of Physical Chemistry A ◽

10.1021/jp0106810 ◽

2001 ◽

Vol 105 (28) ◽

pp. 6894-6899 ◽

Author(s):

Daniel Autrey ◽

Jaan Laane

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Energy Function ◽

Far Infrared ◽

Potential Energy Function ◽

Ring Puckering ◽

Far Infrared Spectra

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Spectroscopic Determination of the Ring-Twisting Potential Energy Function of 1,3-Cyclohexadiene and Comparison with Ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp012170j ◽

2001 ◽

Vol 105 (45) ◽

pp. 10230-10236 ◽

Author(s):

Daniel Autrey ◽

Jaebum Choo ◽

Jaan Laane

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Function ◽

Potential Energy Function ◽

Spectroscopic Determination

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Low-frequency vibrational spectra and ring-puckering potential-energy function of 2-phospholene and 2-phospholene-1-d

The Journal of Physical Chemistry ◽

10.1021/j150651a025 ◽

1984 ◽

Vol 88 (7) ◽

pp. 1365-1368 ◽

Author(s):

M. A. Harthcock ◽

J. R. Villarreal ◽

L. W. Richardson ◽

J. Laane

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Low Frequency ◽

Potential Energy Function ◽

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A Model DMMP/TiO2 (110) Intermolecular Potential Energy Function Developed from ab Initio Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp1112137 ◽

2011 ◽

Vol 115 (25) ◽

pp. 12403-12413 ◽

Author(s):

Li Yang ◽

Ramona Taylor ◽

Wibe A. de Jong ◽

William L. Hase

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Function ◽

Potential Energy Function ◽

Intermolecular Potential

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Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B 1 Π of 7 LiH

Chinese Physics ◽

10.1088/1009-1963/15/12/027 ◽

2006 ◽

Vol 15 (12) ◽

pp. 2928-2933 ◽

Author(s):

Shi De-Heng ◽

Liu Yu-Fang ◽

Sun Jin-Feng ◽

Zhu Zun-Lue ◽

Yang Xiang-Dong

Keyword(s):

Excited State ◽

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Dissociation Energy ◽

Energy Function ◽

Potential Energy Function ◽

Analytic Potential

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Low-frequency vibrational spectra and ring-puckering potential energy function of 1,3-dioxole. A convincing demonstration of the anomeric effect

Journal of the American Chemical Society ◽

10.1021/ja00078a060 ◽

1993 ◽

Vol 115 (25) ◽

pp. 12132-12136 ◽

Author(s):

E. Cortez ◽

R. Verastegui ◽

J. Villarreal ◽

J. Laane

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Low Frequency ◽

Potential Energy Function ◽

Anomeric Effect ◽

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ChemInform Abstract: Vibrational Spectra, Ring-Puckering Potential Energy Function, and Conformation of 1,3-Disilacyclopent-4-ene.

10.1002/chin.199144056 ◽

2010 ◽

Vol 22 (44) ◽

pp. no-no

Author(s):

L. F. COLEGROVE ◽

J. LAANE

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Potential Energy Function ◽

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Vibrational spectra, ring-puckering potential energy function, and conformation of 1,3-disilacyclopent-4-ene

The Journal of Physical Chemistry ◽

10.1021/j100170a021 ◽

1991 ◽

Vol 95 (17) ◽

pp. 6494-6499 ◽

Author(s):

Lloyd F. Colegrove ◽

Jaan Laane

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Potential Energy Function ◽

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ChemInform Abstract: LOW-FREQUENCY VIBRATIONAL SPECTRA AND RING-PUCKERING POTENTIAL ENERGY FUNCTION OF 3-PHOSPHOLENE AND 3-PHOSPHOLENE-1-D1

Chemischer Informationsdienst ◽

10.1002/chin.198115049 ◽

1981 ◽

Vol 12 (15) ◽

Author(s):

L. W. RICHARDSON ◽

P. W. JAGODZINSKI ◽

M. A. HARTHCOCK ◽

L. LAANE

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Low Frequency ◽

Potential Energy Function ◽

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Low‐frequency vibrational spectra and ring‐puckering potential energy function of 3‐phospholene and 3‐phospholene‐1‐d1

The Journal of Chemical Physics ◽

10.1063/1.440074 ◽

1980 ◽

Vol 73 (11) ◽

pp. 5556-5563 ◽

Author(s):

L. W. Richardson ◽

P. W. Jagodzinski ◽

M. A. Harthcock ◽

J. Laane

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Function ◽

Low Frequency ◽

Potential Energy Function ◽

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