✦ LIBER ✦

Rapid analysis of phase behavior with density functional theory. I. Novel numerical methods

✍ Scribed by Salinger, Andrew G.; Douglas Frink, Laura J.

Book ID: 118244753
Publisher: American Institute of Physics
Year: 2003
Tongue: English
Weight: 387 KB
Volume: 118
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1558313

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Rapid analysis of phase behavior with de

Rapid analysis of phase behavior with density functional theory. II. Capillary condensation in disordered porous media

✍ Douglas Frink, Laura J.; Salinger, Andrew G. 📂 Article 📅 2003 🏛 American Institute of Physics 🌐 English ⚖ 501 KB

Phase diagram and critical behavior of t

Phase diagram and critical behavior of the ferromagnetic Heisenberg fluid from density-functional theory

✍ Tavares, J. M.; Telo da Gama, M. M.; Teixeira, P. I. C.; Weis, J. J.; Nijmeijer, 📂 Article 📅 1995 🏛 The American Physical Society 🌐 English ⚖ 752 KB

Vibrational analysis of small species in

Vibrational analysis of small species in the liquid phase by a combined density functional theory and polarizable continuum method

✍ A.L. Magalhães; A.S. Soares Pinto 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 283 KB

Analysis of porous structure of furfurol

Analysis of porous structure of furfurol-based active carbons with application of the density functional theory

✍ R. I. Ibragimova; V. V. Gur’yanov; Yu. A. Kukushkina; S. F. Grebennikov; V. V. S 📂 Article 📅 2011 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 188 KB

Exploring the H-abstraction reactions of

Exploring the H-abstraction reactions of CHCl·−/CCl2·−with CX3H (X = F, Cl, Br and I) using the density functional theory method

✍ JunXi Liang, YanBin Wang, ZhiYuan Geng 📂 Article 📅 2012 🏛 SP Science China Press 🌐 English ⚖ 855 KB

Density Functional Theory Study of Fe(IV

Density Functional Theory Study of Fe(IV) d−d Optical Transitions in Active-Site Models of Class I Ribonucleotide Reductase Intermediate X with Vertical Self-Consistent Reaction Field Methods

✍ Han, Wen-Ge; Liu, Tiqing; Lovell, Timothy; Noodleman, Louis 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 824 KB