Theoretical studies on molecular conformers and infrared spectra of Triethylamine

Matrix-Isolation Infrared and Theoretical Studies of the Glycine Conformers

S. G. Stepanian,†,‡ I. D. Reva,‡ E. D. Radchenko,‡ M. T. S. Rosado,§ M. L. T. S. Duarte,§ R. Fausto,| and L. Adamowicz*,† Department of Chemistry, UniVersity of Arizona, Tucson, Arizona 85721, Institute for Low Temperature Physics and Engineermg, National Academy of Sciences of Ukraine, 47 Lenin AVenue, KharkoV 310164 Ukraine, Department of Chemistry, Faculty of Science, lJniVersity of Lisbon, ...

Theoretical Studies of the Vibrational Spectra and Molecular Structures of Dosulepin and Doxepin

Dosulepin and doxepin are tricyclic antidepressants. The molecular geometries, harmonic vibrational frequencies, quantum chemical parameters and thermodynamic properties of dosulepin and doxepin were calculated by Generalized Gradient Approximation methods developed by Perdew and Wang (GGA-PW91) and Becke-Lee-Yang-Parr (GGA-BLYP) in the gas phase and solution media. The local reactivity of thes...

theoretical studies of the vibrational spectra and molecular structures of dosulepin and doxepin

dosulepin and doxepin are tricyclic antidepressants. the molecular geometries, harmonic vibrational frequencies, quantum chemical parameters and thermodynamic properties of dosulepin and doxepin were calculated by generalized gradient approximation methods developed by perdew and wang (gga-pw91) and becke-lee-yang-parr (gga-blyp) in the gas phase and solution media. the local reactivity of thes...

postnatal studies of bats (pipistrellus kuhlii and miniopterus schreibersii) & histomorphology and histochemistry studies of organs and diseases of (neurergus microspilotus and n. kaiseri)

1. to determine whether difference in birth body mass influenced growth performance in pipistrellus kuhlii we studied a total of 12 captive-born neonates. bats were assigned to two body mass groups: light birth body mass (lbw: 0.89 ± 0.05, n=8) and heavy birth body mass (hbw: 1.35 ± 0.08, n=4). heavier body mass at birth was associated with rapid postnatal growth (body mass and forearm length) ...

Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties