✦ LIBER ✦

Quasi ab initio molecular dynamic study of Cu melting

✍ Scribed by Belonoshko, A.; Ahuja, R.; Eriksson, O.; Johansson, B.

Book ID: 111879119
Publisher: The American Physical Society
Year: 2000
Tongue: English
Weight: 93 KB
Volume: 61
Category: Article
ISSN: 1098-0121
DOI: 10.1103/physrevb.61.3838

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Kohn-Sham ab initio molecular dynamics s

Kohn-Sham ab initio molecular dynamics study of liquid Al near melting

✍ Alemany, M.; Gallego, L.; González, David 📂 Article 📅 2004 🏛 The American Physical Society 🌐 English ⚖ 66 KB

Ab initio Molecular Dynamics Simulation

Ab initio Molecular Dynamics Simulation of Laser Melting of Silicon

✍ Silvestrelli, Pier; Alavi, Ali; Parrinello, Michele; Frenkel, Daan 📂 Article 📅 1996 🏛 The American Physical Society 🌐 English ⚖ 180 KB

Ab Initio Molecular Dynamics Study of Fi

Ab Initio Molecular Dynamics Study of First-Order Phase Transitions: Melting of Silicon

✍ Sugino, Osamu; Car, Roberto 📂 Article 📅 1995 🏛 The American Physical Society 🌐 English ⚖ 219 KB

Ab initio molecular dynamics study of am

Ab initio molecular dynamics study of amorphous Ge

✍ Noboru Takeuchi; Ignacio L. Garzón 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 392 KB

Ab initio molecular-dynamics study of li

Ab initio molecular-dynamics study of liquid formamide

✍ Tsuchida, Eiji 📂 Article 📅 2004 🏛 American Institute of Physics 🌐 English ⚖ 386 KB

Serine proteases: An ab initio molecular

Serine proteases: An ab initio molecular dynamics study

✍ L. De Santis; P. Carloni 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 282 KB 👁 2 views

In serine proteases (SPs), the Hbond between His57 and Asp102 and that between Gly193 and the transition state intermediate play a crucial role in enzymatic function. To shed light on the nature of these interactions, we have carried out ab initio molecular dynamics simulations on complexes represen