Zobrazeno 1 - 10
of 120
pro vyhledávání: '"Colin J. Marsden"'
Publikováno v:
Inorganic Chemistry
Inorganic Chemistry, American Chemical Society, 2009, 48 (14), pp.6888-6895. ⟨10.1021/ic900869f⟩
Inorganic Chemistry, American Chemical Society, 2009, 48 (14), pp.6888-6895. ⟨10.1021/ic900869f⟩
Reactions of laser-ablated U atoms with SO(2) molecules gave the very stable U(VI) molecule, SUO(2), as the major product. Infrared absorptions for two new O=U=O stretching modes were observed in solid argon and neon. The band assignments were confir
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::024a90471f4de04e129006eb9af9f53c
https://doi.org/10.1021/ic900869f
https://doi.org/10.1021/ic900869f
Publikováno v:
Chemistry - A European Journal. 12:8324-8335
Reactions of laser-ablated Th and U atoms with C(2)H(2) during condensation with excess argon at 7 K give several new product species. The metallacyclopropene, inserted hydride, and actinide ethynyl are identified from isotopic frequencies and relati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d5e8e9c0fe7cce35e2ffb141712e0951
https://doi.org/10.1002/chem.200600075
https://doi.org/10.1002/chem.200600075
Publikováno v:
Inorganic Chemistry. 44:7634-7643
Laser-ablated W atoms react with CH4 in excess argon to form the CH3−WH, CH2WH2, and CH⋮WH3 molecules with increasing yield in this order of product stability. These molecules are identified from m...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1089057a3cd1d4c7cd03f45c79d945de
https://doi.org/10.1021/ic051090h
https://doi.org/10.1021/ic051090h
Autor:
Blanca Martin-Vaca, Didier Bourissou, Colin J. Marsden, Lionel Truflandier, Christelle Freund
Publikováno v:
European Journal of Inorganic Chemistry. 2004:1939-1947
Density functional calculations are reported for the neutral and cationic forms of the ‘‘CpPN’’ zirconium complexes E and F featuring a phosphazene and phosphinimido pendant arm, respectively.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::169265e5fa7145f7b72b27fcd359627d
https://doi.org/10.1002/ejic.200300757
https://doi.org/10.1002/ejic.200300757
Publikováno v:
The Journal of Physical Chemistry A. 107:8492-8505
Laser-ablated coinage metal atom reactions with H2 in excess argon, neon, and pure hydrogen are investigated through matrix infrared spectroscopy. The reaction products are identified by isotopic substitution (D2, HD, and H2 + D2) and verified by DFT
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a166ffa921b3bf365472ec971c7274e
https://doi.org/10.1021/jp0354346
https://doi.org/10.1021/jp0354346
Publikováno v:
The Journal of Physical Chemistry A. 107:4515-4525
A systematic study has been carried out with density functional theory of UO 2 L 2 n+ (n = 0 or 2) complexes. Thirty three ligands have been considered, enabling a large database of binding energies and geometries to be established that can improve o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9faf5d7f9c8122e380c41a75ef62b0bb
https://doi.org/10.1021/jp027243t
https://doi.org/10.1021/jp027243t
Publikováno v:
The Journal of Physical Chemistry A. 107:1840-1849
The molecular geometry of yttrium trichloride has been determined by high-temperature gas-phase electron diffraction. The vapor phase consisted of about 87% monomeric and 13% dimeric species. High-...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e84dbe07bf0f8fbf16b6df9471a5961
https://doi.org/10.1021/jp027157t
https://doi.org/10.1021/jp027157t
Publikováno v:
Phys. Chem. Chem. Phys.. 5:252-258
Ab initio metods have been employed to investigate first row transition metal hydrides and helides of form: TMHn+ (where n = 0–2) and TMHen+ (where n = 1–3), respectively. Multi-configurational SCF and IC-MRCI methods have been used, along with a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::516bd6cd3c604a510a0cbfc1fad3a42e
https://doi.org/10.1039/b208640a
https://doi.org/10.1039/b208640a
Publikováno v:
Chemical Physics. 284:555-563
The electronic structure and molecular properties of triply charged transition metal helides, HeTM3+ (where TM = Sc–Cu), have been investigated employing CCSD(T), MCSCF and MRCI methods. Dissociation energies and harmonic vibrational frequencies ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::082748d0351c4c2d93b0a201af4595b7
https://doi.org/10.1016/s0301-0104(02)00798-x
https://doi.org/10.1016/s0301-0104(02)00798-x
Publikováno v:
The Journal of Physical Chemistry A. 106:7348-7354
The electronic structure and molecular properties of doubly charge transition metal helides, HeX2+ (where X = Sc−Cu), have been investigated using the all-electron ROHF−UCCSD(T) method. Basis sets have been developed for the first row transition
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9e85a4f99af0e40604f2937cb054330
https://doi.org/10.1021/jp0203503
https://doi.org/10.1021/jp0203503