✦ LIBER ✦

A Density Functional Theory Study of the Structure and Vibrational Spectra of β-Carotene, Capsanthin, and Capsorubin

✍ Scribed by Requena, A.; Cerón-Carrasco, J. P.; Bastida, A.; Zúñiga, J.; Miguel, B.

Book ID: 127263255
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 595 KB
Volume: 112
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp710304u

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density functional and vibrational spect

Density functional and vibrational spectroscopic analysis of β-carotene

✍ S. Schlücker; A. Szeghalmi; M. Schmitt; J. Popp; W. Kiefer 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 967 KB

Density functional theory study on molec

Density functional theory study on molecular structure and vibrational IR spectra of isocytosine

✍ Józef S. Kwiatkowski; Jerzy Leszczynski 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 178 KB 👁 2 views

Density functional theory with the combined Becke3-LYP exchange᎐correlation energy w Ž . x Ž . functional DFT B3-LYP method using the 6-31G d, p basis set is applied to predict Ž . molecular parameters geometries, rotational constants, dipole moments and vibrational Ž . IR spectra harmonic wavenumb

Density Functional Theory Study of the β

Density Functional Theory Study of the β-Carotene Radical Cation and Deprotonated Radicals

✍ Gao, Yunlong; Focsan, A. Ligia; Kispert, Lowell D.; Dixon, David A. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 228 KB

ChemInform Abstract: Molecular Structure

ChemInform Abstract: Molecular Structure and Vibrational Spectra of 9-Fluorenone Density Functional Theory Study.

✍ S. Y. LEE; B. H. BOO 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 25 KB 👁 2 views

Density functional theory study of vibra

Density functional theory study of vibrational spectra part 5. Structure, dipole moment, and vibrational assignment of azulene

✍ Susan J. Mole; Xuefeng Zhou; Jeffrey G. Wardeska; Ruifeng Liu 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 671 KB

Molecular structure and vibrational spec

Molecular structure and vibrational spectra of Irinotecan: A density functional theoretical study

✍ P. Chinna Babu; N. Sundaraganesan; S. Sudha; V. Aroulmoji; E. Murano 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 492 KB