✦ LIBER ✦

Theoretical study of the electronic spectra of square-planar platinum (II) complexes based on the two-component relativistic time-dependent density-functional theory

✍ Scribed by Wang, Fan; Ziegler, Tom

Book ID: 120632412
Publisher: American Institute of Physics
Year: 2005
Tongue: English
Weight: 378 KB
Volume: 123
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2104427

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of the electronic stru

Theoretical study of the electronic structures and absorption spectra of tetracyanoplatinate(2-) and dithallium tetracyanoplatinate(2-) based on density functional theory including relativistic effects

✍ Ziegler, Tom; Nagle, Jeffrey K.; Snijders, Jaap G.; Baerends, Evert J. 📂 Article 📅 1989 🏛 American Chemical Society 🌐 English ⚖ 633 KB

The calculation of excitation energies b

The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry

✍ Wang, Fan; Ziegler, Tom; van Lenthe, Erik; van Gisbergen, Stan; Baerends, Evert 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 367 KB

Time-dependent density functional theory

Time-dependent density functional theory study on the electronic excited-state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen-bonded complex

✍ Yufang Liu; Junxia Ding; Ruiqiong Liu; Deheng Shi; Jinfeng Sun 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB 👁 2 views

## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogen‐bonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the time‐dependent density functional theo

The Exploration of Neutral Azoligand-Bas

The Exploration of Neutral Azoligand-Based Grubbs Type Palladium(II) Complex as Potential Catalyst for the Copolymerization of Ethylene with Acrylonitrile: A Theoretical Study Based on Density Functional Theory

✍ Yang, Sheng-Yong; Szabo, Miklos J.; Michalak, Artur; Weiss, Thomas; Piers, Warre 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 749 KB

The Electronic Structure of the Isoelect

The Electronic Structure of the Isoelectronic, Square-Planar Complexes [Fe II (L) 2 ] 2- and [Co III (L Bu ) 2 ] - (L 2- and (L Bu ) 2- = Benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study

✍ Ray, Kallol; Begum, Ameerunisha; Weyhermüller, Thomas; Piligkos, Stergios; van S 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 380 KB