✦ LIBER ✦

Comparison of Experimental Methods and Theoretical Calculations on Crystal Energies of ‘Isoenergetic’ Polymorphs of Cimetidine

✍ Scribed by A. Bauer-Brandl; E. Marti; A. Geoffroy; A. Poso; J. Suurkuusk; E. Wappler; K. H. Bauer

Book ID: 110287305
Publisher: Springer Netherlands
Year: 1999
Tongue: English
Weight: 135 KB
Volume: 57
Category: Article
ISSN: 0022-5215
DOI: 10.1023/a:1010137505058

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Influence of Microhydration on the Ioniz

Influence of Microhydration on the Ionization Energy Thresholds of Thymine: Comparisons of Theoretical Calculations with Experimental Values

✍ Close, David M.; Crespo-Hernández, Carlos E.; Gorb, Leonid; Leszczynski, Jerzy 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 160 KB

Free energy calculation methods: A theor

Free energy calculation methods: A theoretical and empirical comparison of numerical errors and a new method qualitative estimates of free energy changes

✍ Radmer, Randall J.; Kollman, Peter A. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 228 KB 👁 2 views

We present a comparison of four free energy calculation methods: Ž . Ž . thermodynamic integration TI ; traditional free energy perturbation FEP ; Ž . Bennett's acceptance ratio method IPS ; and a method that is related to an Ž . implementation of the WHAM method CRS . The theoretical bases of the

Experimental and Theoretical Comparison

Experimental and Theoretical Comparison of Gas Desorption Energies on Metallic and Semiconducting Single-Walled Carbon Nanotubes

✍ Mandeltort, Lynn; Chen, De-Li; Saidi, Wissam A.; Johnson, J. Karl; Cole, Milton 📂 Article 📅 2013 🏛 American Chemical Society 🌐 English ⚖ 512 KB

Matrix-Isolation FTIR Studies and Theore

Matrix-Isolation FTIR Studies and Theoretical Calculations of Hydrogen-Bonded Complexes of Imidazole. A Comparison between Experimental Results and Different Calculation Methods

✍ Van Bael, Marlies K.; Smets, Johan; Schoone, Kristien; Houben, Linda; McCarthy, 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 258 KB

Free energy calculations on the relative

Free energy calculations on the relative solvation free energies of benzene, anisole, and 1,2,3-trimethoxybenzene: theoretical and experimental analysis of aromatic methoxy solvation

✍ Kuyper, Lee F.; Hunter, Robert N.; Ashton, David 📂 Article 📅 1991 🏛 American Chemical Society 🌐 English ⚖ 767 KB

Comparison of Cluster and Infinite Cryst

Comparison of Cluster and Infinite Crystal Calculations on Zeolites with the Electronegativity Equalization Method (EEM)

✍ Janssens, Geert O. A.; Baekelandt, Bart G.; Toufar, Helge; Mortier, Wilfried J.; 📂 Article 📅 1995 🏛 American Chemical Society 🌐 English ⚖ 629 KB