✦ LIBER ✦

Iterative extended Hückel study of nucleic acid bases

✍ Scribed by Robert Rein; Nobuo Fukuda; George A. Clarke; Frank E. Harris

Publisher: Elsevier Science
Year: 1968
Tongue: English
Weight: 424 KB
Volume: 21
Category: Article
ISSN: 0022-5193
DOI: 10.1016/0022-5193(68)90061-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The nature of excimer states formation i

The nature of excimer states formation in the stacked dimers of nucleic acid bases in the extended Hückel treatment

✍ V.I. Danilov; V.I. Pechenaya; M.R. Sharafutdinov 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 296 KB

The nature of the o&n of excimer states, desmied within EHT, is studied. As a result of an EHT analysis, via perturbation theory, the rise of a minimum on the potential curve of an excited state in stacked dimers of nucleotide bases is demo=strated. It is shown that the method can describe excimer s

Quantum chemical studies on the conforma

Quantum chemical studies on the conformational structure of nucleic acids I. Extended Hückel calculations on d-ribose phosphate

✍ Girjesh Govil; Anil Saran 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 540 KB

Quantum chemical studies on the conforma

Quantum chemical studies on the conformational structure of nucleic acids III. Calculation of backbone structure by extended Hückel theory

✍ Anil Saran; Girjesh Govil 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 609 KB

Extended Hückel study of the chemisorpti

Extended Hückel study of the chemisorption of acetylene on the Pt(III) surface

✍ Angelo Gavezzotti; Massimo Simonetta 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 423 KB

The cacc of .rpproach of an acctylcnc molcc~lc to the various possible sites for chcmisorption on the Pt(l11) surface WF studled by cvtcndcd I~uckel calculations. The rccults are compared with the outcome of LktD mtcnsity .malysis.

Electrical properties of nucleic acid ba

Electrical properties of nucleic acid bases

✍ Harold Basch; D.R. Garmer; P.G. Jasien; M. Krauss; W.J. Stevens 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 680 KB

The dipole polarizabilities for the five nucleic acid bases, uracil, cytosine, thymine, guanine, and adenine have been determined by the coupled perturbed Hartree-Fock (CPHF) method using a polarized double-zeta basis set. Electronic correlation corrections from second-order Mailer-Plesset (MP2) per

Conformational analysis of a cyclic nucl

Conformational analysis of a cyclic nucleotide: 3′−5′-Adenosine monophosphate. A study based on the extended Hückel theory

✍ Jean Noël Lespinasse; Dane Vasilescu 📂 Article 📅 1974 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 573 KB

## Abstract The extended Hückel theory (EHT) was used as a quantum mechanical approach for the determination of the best conformation of cyclic AMP. Both geometrical and quantum mechanical studies were necessary to ascertain the configuration of the sugar ring and phosphate ring. This was due to th