✦ LIBER ✦

Theoretical study on intermolecular charge transfer by ab initio molecular dynamics

✍ Scribed by Y. Ohta; K. Nishi; H. Saito; K. Ohta

Book ID: 117539489
Publisher: Elsevier Science
Year: 2003
Tongue: English
Weight: 279 KB
Volume: 135-136
Category: Article
ISSN: 0379-6779
DOI: 10.1016/s0379-6779(02)00778-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Multi-directional charge transfers intro

Multi-directional charge transfers introduced by multiple substitutions and their effects on molecular hyperpolarizability: an ab initio theoretical study

✍ Mutsumi Tomonari; Norio Ookubo; Toshikazu Takada 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 546 KB

Ab Initio Quality Electrostatic Atomic a

Ab Initio Quality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank

✍ Volkov, Anatoliy; Li, Xue; Koritsanszky, Tibor; Coppens, Philip 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 853 KB

Proton Transfer in Malonaldehyde: An Ab

Proton Transfer in Malonaldehyde: An Ab Initio Projector Augmented Wave Molecular Dynamics Study

✍ Katharina Wolf; Werner Mikenda; Ernst Nusterer; Karlheinz Schwarz; Claudia Ulbri 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 319 KB 👁 2 views

Al(III) Hydration Revisited. An ab Initi

Al(III) Hydration Revisited. An ab Initio Quantum Mechanical Charge Field Molecular Dynamics Study

✍ Hofer, Thomas S.; Randolf, Bernhard R.; Rode, Bernd M. 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 502 KB

Dynamical properties of liquid phosphoru

Dynamical properties of liquid phosphorus studied by ab initio molecular-dynamics simulations

✍ Yasuhiro Senda; Fuyuki Shimojo; Kozo Hoshino 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 191 KB

Ab initio molecular dynamics study on Ag

Ab initio molecular dynamics study on Ag(n = 4, 5, 6)

✍ Liu, Z.F.; Yim, W.L.; Tse, J.S.; Hafner, J. 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 288 KB