✦ LIBER ✦

Using Perturbation and Frontier Molecular Orbital Theory To Predict Diastereofacial Selectivity

✍ Scribed by Dannenberg, J. J.

Book ID: 124049541
Publisher: American Chemical Society
Year: 1999
Tongue: English
Weight: 153 KB
Volume: 99
Category: Article
ISSN: 0009-2665
DOI: 10.1021/cr980382f

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ChemInform Abstract: Using Perturbation

ChemInform Abstract: Using Perturbation and Frontier Molecular Orbital Theory to Predict Diastereofacial Selectivity

✍ J. J. Dannenberg 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 24 KB

Accuracy of the three-body fragment mole

Accuracy of the three-body fragment molecular orbital method applied to Møller–Plesset perturbation theory

✍ Dmitri G. Fedorov; Kazuya Ishimura; Toyokazu Ishida; Kazuo Kitaura; Peter Pulay; 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 833 KB

## Abstract The three‐body energy expansion in the fragment molecular orbital method (FMO) was applied to the 2nd order Møller–Plesset theory (MP2). The accuracy of both the two and three‐body expansions was determined for water clusters, alanine __n__‐mers (α‐helices and β‐strands) and one synthet

Molecular structure, Mulliken charge, fr

Molecular structure, Mulliken charge, frontier molecular orbital and first hyperpolarizability analysis on 2-nitroaniline and 4-methoxy-2-nitroaniline using density functional theory

✍ Azhagiri, S.; Jayakumar, S.; Gunasekaran, S.; Srinivasan, S. 📂 Article 📅 2014 🏛 Elsevier Science 🌐 English ⚖ 411 KB

Prediction of response to marker-assiste

Prediction of response to marker-assisted and genomic selection using selection index theory

✍ J. C. M. Dekkers 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 336 KB

Satellite orbit error due to geopotentia

Satellite orbit error due to geopotential model error using perturbation theory: applications to ROCSAT-2 and COSMIC missions

✍ Cheinway Hwang; Lih-Shinn Hwang 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 784 KB

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations on F+H2→HF+H and OH+H2→ H2O+H using unrestricted Møller-Plesset perturbation theory with spin projection

✍ H.Bernhard Schlegel; Carlos Sosa 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 437 KB