✦ LIBER ✦

Ab initio time-dependent coupled perturbed Hartree-Fock studies of optical nonlinearities of organic molecules: alkyl derivatives of 4-amino-.beta.-nitrostyrene

✍ Scribed by Keshari, Vijaya; Karna, Shashi P.; Prasad, Paras N.

Book ID: 118132053
Publisher: American Chemical Society
Year: 1993
Tongue: English
Weight: 582 KB
Volume: 97
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100116a015

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hyperpolarizabilities of Organic Molecul

Hyperpolarizabilities of Organic Molecules: Ab Initio Time-Dependent Coupled Perturbed Hartree-Fock-Roothaan Studies of Basic Heterocyclic Structures

✍ Keshari, Vijaya; Wijekoon, Wijekoon M. K. P.; Prasad, Paras N.; Karna, Shashi P. 📂 Article 📅 1995 🏛 American Chemical Society 🌐 English ⚖ 751 KB

Geometrical effect on the nonlinear opti

Geometrical effect on the nonlinear optical properties of model rigid-rod polymers. Ab initio time-dependent coupled Hartree-Fock studies

✍ Shashi P. Karna; Vijaya Keshari; Paras N. Prasad 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 335 KB

The linear and nonlinear optical (NLO) properties of the cis and trans isomers of diphenylbenzobisoxazole (PBO) and diphenylbenzobisthiazole (PBT) have been calculated by ab initio time-dependent coupled perturbed Hartree-Fock method using a split-valence basis set. The second-order NLO susceptibili