2009年第113卷35期
共25篇1. Bonding of xenon hydrides. 9700-6页
作者:Nancy,Pérez-Peralta; Rosalba,Juárez; Erick,Cerpa; F Matthias,Bickelhaupt; Gabriel,Merino
2. Metal-olefin bond energies in M(CO)5(C2H(4-n)Cln) M = Cr, Mo, W; n = 0-4: electron-withdrawing olefins do not increase the bond strength. 9692-9页
作者:Darin N,Schlappi; David L,Cedeño
3. Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule. 9595-602页
作者:Enrico,Tapavicza; Ivano,Tavernelli; Ursula,Rothlisberger
5. Computational studies of gas-phase Ca3P2 and Ca6P4. 9737-40页
作者:Chammi S Palehepitiya,Gamage; Kaori,Ueno-Noto; Dennis S,Marynick
6. Solvent dependence of the N-methylacetamide structure and force field. 9727-36页
作者:Valery,Andrushchenko; Pavel,Matejka; David T,Anderson; Jakub,Kaminský; Jan,Hornícek; Leif O,Paulson; Petr,Bour
7. Observation of a remarkable temperature effect in the hydrogen bonding structure and dynamics of the CN(-)(H2O) cluster. 9579-84页
作者:Xue-Bin,Wang; Jasper C,Werhahn; Lai-Sheng,Wang; Karol,Kowalski; Alfred,Laubereau; Sotiris S,Xantheas
8. Structure and composition analysis of natural gas hydrates: 13C NMR spectroscopic and gas uptake measurements of mixed gas hydrates. 9641-9页
作者:Yutaek,Seo; Seong-Pil,Kang; Wonho,Jang
9. Comment on "Limits on fluorescence detected circular dichroism of single helicene molecules". 9757-8; discussion 9759页
作者:Michael D,Barnes; Ruthanne Hassey,Paradise; Ellen,Swain; D,Venkataraman; Nathan I,Hammer
10. Experimental and computational study on the molecular energetics of 2-pyrrolecarboxylic acid and 1-methyl-2-pyrrolecarboxylic acid. 9741-50页
作者:Ana Filipa L O M,Santos; Manuel A V,Ribeiro da Silva
11. Perchloromethyl mercaptan, CCl3SCl, excited with synchrotron radiation in the proximity of the sulfur and chlorine 2p edges: dissociative photoionization of highly halogenated species. 9624-32页
作者:Emiliano,Cortés; Carlos O,Della Védova; Mariana,Geronés; Rosana M,Romano; Mauricio F,Erben
12. Dealkylation of alkylbenzenes: a significant pathway in the toluene, o-, m-, p-xylene + OH reaction. 9658-66页
作者:Jun,Noda; Rainer,Volkamer; Mario J,Molina
13. Conformational stability, r0 structural parameters, ab initio calculations, and vibrational assignment for fluorocyclopentane. 9675-83页
作者:James R,Durig; Ahmed M,El Defrawy; Arindam,Ganguly; Todor K,Gounev; Gamil A,Guirgis
14. Tuning electronic properties of functionalized polyhedral oligomeric silsesquioxanes: a DFT and TDDFT study. 9707-14页
作者:Chang-Gua,Zhen; Udo,Becker; John,Kieffer
15. Electronic structure and stability of benzotriazoles. 9751-6页
作者:Igor,Novak; Tareq,Abu-Izneid; Branka,Kovac; Leo,Klasinc
16. Conformational analysis of DNA repair intermediates by time-resolved fluorescence spectroscopy. 9585-7页
作者:Su,Lin; David P,Horning; Jack W,Szostak; John C,Chaput
17. Two-dimensional infrared spectroscopy of dimanganese decacarbonyl and its photoproducts: an ab initio study. 9617-23页
作者:Carlos R,Baiz; Porscha L,McRobbie; Nicholas K,Preketes; Kevin J,Kubarych; Eitan,Geva
18. Ion segregation and deliquescence of alkali halide nanocrystals on SiO2. 9715-20页
作者:Kenta,Arima; Peng,Jiang; Deng-Sung,Lin; Albert,Verdaguer; Miquel,Salmeron
19. Collision-induced dissociation of II-VI semiconductor nanocrystal precursors, Cd2+ and Zn2+ complexes with trioctylphosphine oxide, sulfide, and selenide. 9588-94页
作者:Won Ja,Min; Sunghan,Jung; Sung Jun,Lim; Yongwook,Kim; Seung Koo,Shin
20. Diels-Alder reaction between cyclopentadiene and C60: an analysis of the performance of the ONIOM method for the study of chemical reactivity in fullerenes and nanotubes. 9721-6页
作者:Sílvia,Osuna; Josep,Morera; Montserrat,Cases; Keiji,Morokuma; Miquel,Solà
21. S1-state internal conversion of isolated azulene derivatives. 9603-11页
作者:Yasushi,Numata; Satoru,Toyoshima; Katsuhiko,Okuyama; Masafumi,Yasunami; Isamu,Suzuka
22. Primary oxidation products of 5-methylcytosine: methyl dynamics and environmental influences. 9633-40页
作者:André,Krivokapić; Kjell Tage,Øhman; William H,Nelson; Eli O,Hole; Einar,Sagstuen
23. Core-shell nanopillars of fullerene C60/C70 loading with colloidal Au nanoparticles: a Raman scattering investigation. 9612-6页
作者:Zhixun,Luo; Yong Sheng,Zhao; Wensheng,Yang; Aidong,Peng; Ying,Ma; Hongbing,Fu; Jiannian,Yao