✦ LIBER ✦

Uncertainty and the calculation of safety-related parameters for chemical reactions

✍ Scribed by Ulrich Hauptmanns

Book ID: 108473650
Publisher: Elsevier Science
Year: 1997
Tongue: English
Weight: 574 KB
Volume: 10
Category: Article
ISSN: 0950-4230
DOI: 10.1016/s0950-4230(97)00009-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of NMR and EPR Parameters (T

Calculation of NMR and EPR Parameters (Theory and Applications) || Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters

✍ Kaupp, Martin; Bühl, Michael; Malkin, Vladimir G. 📂 Article 📅 2004 🏛 Wiley-VCH Verlag GmbH & Co. KGaA ⚖ 35 KB

Introduction: The Quantum Chemical Calcu

Introduction: The Quantum Chemical Calculation of NMR and EPR Parameters

✍ Martin Kaupp; Michael Buehl; Vladimir G. Malkin 📂 Article 📅 2005 🏛 John Wiley and Sons ⚖ 8 KB 👁 1 views

Calculation of NMR and EPR Parameters (T

Calculation of NMR and EPR Parameters (Theory and Applications) || Semiempirical Methods for the Calculation of NMR Chemical Shifts

✍ Kaupp, Martin; Bühl, Michael; Malkin, Vladimir G. 📂 Article 📅 2004 🏛 Wiley-VCH Verlag GmbH & Co. KGaA ⚖ 461 KB

Quantum chemical calculation of the band

Quantum chemical calculation of the band structure parameters for (TMTSF)2PF6

✍ A. A. Guliev; A. E. Smolyar; I. A. Abronin; V. P. Litvinov 📂 Article 📅 1993 🏛 Springer 🌐 English ⚖ 251 KB

Sparkle/RM1 parameters for the semiempir

Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes

✍ Filho, Manoel A. M.; Dutra, José Diogo L.; Rocha, Gerd B.; Freire, Ricardo O.; S 📂 Article 📅 2013 🏛 The Royal Society of Chemistry 🌐 English ⚖ 692 KB

A separable rotation approximation for t

A separable rotation approximation for the calculation of chemical reaction rates

✍ Steven L. Mielke; Gillian C. Lynch; Donald G. Truhlar; David W. Schwenke 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 423 KB

We present a simple, yet remarkably accurate, approximate formula for the calculation of cumulative reaction probabilities and chemical reaction rates based on a separable-rotation approximation. The method allows a calculation of the full rate constant based on results for a single value of the tot