✦ LIBER ✦

Density functional studies of the n·aσ charge-transfer complexes between NH3 and BrX (X=Cl, Br)

✍ Scribed by A. Garcia; J.M. Elorza; J.M. Ugalde

Book ID: 114143971
Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 109 KB
Volume: 501-502
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(99)00431-5

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Density Functional Study of the Complexa

Density Functional Study of the Complexation Reaction of Sn(CH3)3X (X = F, Cl, Br and I) with Halide Anions

✍ Frank De Proft; Ricardo Vivas-Reyes; Monique Biesemans; Rudolph Willem; Jan M. L 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 151 KB

A theoretical investigation on the natur

A theoretical investigation on the nature of Cl⋯N and Br⋯N halogen bonds in FArX⋯NCY complexes (X = Cl, Br and Y = H, F, Cl, Br, OH, NH2, CH3 and CN)

✍ Mehdi D. Esrafili; Babak Ahmadi 📂 Article 📅 2012 🏛 Elsevier 🌐 English ⚖ 413 KB

Charge transfer spectra of organometalli

Charge transfer spectra of organometallic complexes—VIII. Energy contributions to the formation of a donor—acceptor complex and to the electron transfer in the interaction between trialkyltindonors R3SnX and (X = NCS, Br) the acceptors, I2 and TCNE

✍ P. Verbiest; L. Verdonck; G.P. Van der Kelen 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 335 KB

An ab initio molecular orbital study of

An ab initio molecular orbital study of the structures and energies of neutral and charged bimolecular complexes of NH3 with the hydrides AHn (A = N, O, F, P, S, and Cl)

✍ Janet E. Del Bene 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 999 KB

Hartree-Fock 6-31G(d) structures for the neutral, positive ion, and negative ion bimolecular complexes of NH3 with the firstand second-row hydrides AH, (AH, = NH3,0Hz, FH, PH3, SH2, and ClH) have been determined. All of the stable neutral complexes except (NH3)2, the positive ion complexes with NH3

Reaction Mechanism and Structure–Reactiv

Reaction Mechanism and Structure–Reactivity Relationships in the Stereospecific 1,4-Polymerization of Butadiene Catalyzed by Neutral Dimeric Allylnickel(II) Halides [Ni(C3H5)X]2 (X−=Cl−, Br−, I−): A Comprehensive Density Functional Theory Study

✍ Sven Tobisch; Rudolf Taube 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 281 KB