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

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 ◽  
Ring Puckering

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

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 ◽  
Ring Puckering

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

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

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

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

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

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 ◽  
Ring Puckering

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

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 ◽  
Ring Puckering
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