Browsing by Author "Laane, Jaan"
Now showing items 1-8 of 8
-
Spectroscopic and ab initio studies on the conformations and vibrational spectra of selected cyclic and bicyclic molecules
Al-Saadi, Abdulaziz A. H. (2009-05-15)The structure, potential energy functions and vibrational spectra of several cyclic and bicyclic molecules have been investigated using several spectroscopic techniques and high-level ab initio and density functional theory ... -
Spectroscopic and theoretical investigation of selected cyclic and bicyclic molecules in their ground and excited electronic states
Rishard, Mohamed Zuhair Mohamed (2009-05-15)The structures, vibrational frequencies, and potential energy functions of several molecules in their ground and excited electronic states were determined using various spectroscopic and theoretical methods. High-level ab ... -
Spectroscopic and Theoretical Investigations of Halopyridines, Halobismuthates and a Spiro Ketal
Sheu, Hong-Li (2014-09-02)Infrared and Raman spectra of 2,6-difluoropyridine (26DFPy) and 2,3,5,6-tetrafluoropyridine were recorded and vibrational assignments made for their electronic ground states. Theoretical ab initio and density functional ... -
Spectroscopic Investigations of Selected Cyclic and Bicyclic Molecules
McCann, Kathleen Rae (2010-10-12)Several cyclic molecules along with two bicyclic molecules were investigated using infrared (IR), Raman, ultraviolet (UV) absorption, fluorescence excitation (FES), and single vibronic level fluorescence (SVLF) ... -
Spectroscopic investigations of the vibrational potential energy surfaces in electronic ground and excited states
Yang, Juan (Texas A&M University, 2007-09-17)The vibrational potential energy surfaces in electronic ground and excited states of several ring molecules were investigated using several different spectroscopic methods, including far-infrared (IR), Raman, ultraviolet ... -
Spectroscopic Studies of Pyridine and its Isotopomer, 2-Fluoro- and 3-Fluoropyridine, 1,3-Butadiene and Its Isotopomers
Boopalachandran, Praveenkumar (2012-02-14)The infrared, Raman and ultraviolet spectra of pyridine-d0 and pyridine-d5 were recorded and assigned with a focus on the low-frequency vibrational modes in the S1(n,pi*) electronic excited state. An energy map for the ... -
Vibrational and Theoretical Investigations of Molecular Conformations and Intramolecular pi-Type Hydrogen Bonding
Ocola, Esther (2012-02-14)The molecular conformations, potential energy functions and vibrational spectra of several cyclic molecules have been investigated by ab initio and density functional theory calculations and by infrared and Raman spectroscopy. ... -
Vibrational Spectra, Theoretical Calculations, and Structures of Cyclic Silanes, 2,4,7-Trioxa(3.3.0)Octane and Botryococcenes
Chun, Hye Jin (2014-12-08)The vibrational spectra and structures of several cyclic silanes and a bicyclic molecule have been investigated with high-level ab initio and density function theory (DFT) calculations. In addition, the Raman spectra of ...