2012年第116卷40期
共25篇1. Vacuum-ultraviolet electronic circular dichroism study of methyl α-D-glucopyranoside in aqueous solution by time-dependent density functional theory. 9996-10003页
作者:Koichi,Matsuo; Hirofumi,Namatame; Masaki,Taniguchi; Kunihiko,Gekko
2. Fluorescence photoactivation by intermolecular proton transfer. 9928-33页
作者:Subramani,Swaminathan; Marco,Petriella; Erhan,Deniz; Janet,Cusido; James D,Baker; Mariano L,Bossi; Françisco M,Raymo
3. Lattice dynamics through the structural phase transition in D-amphetamine sulfate. 9854-62页
作者:Iwona,Olejniczak; Katarzyna,Pogorzelec-Glaser
4. Mechanism of photo-oxidation of heptafluorobutyric anhydride in the presence of NO2. Synthesis and characterization of heptafluoropropyl peroxynitrate, CF3CF2CF2OONO2. 9904-10页
作者:Adriana G,Bossolasco; Fabio E,Malanca; Maxi A,Burgos Paci; Gustavo A,Argüello
5. Advances in understanding of chemical bonding: inputs from experimental and theoretical charge density analysis. 9791-801页
6. Empirical correction of nondynamical correlation energy for density functionals. 9969-78页
作者:Wanyi,Jiang; Chris C,Jeffrey; Angela K,Wilson
7. Measurements of thermodynamic and optical properties of selected aqueous organic and organic-inorganic mixtures of atmospheric relevance. 9954-68页
作者:Daniel M,Lienhard; David L,Bones; Andreas,Zuend; Ulrich K,Krieger; Jonathan P,Reid; Thomas,Peter
8. Fourier transform infrared and Raman and surface-enhanced Raman spectroscopy studies of a novel group of boron analogues of aminophosphonic acids. 10004-14页
作者:Natalia,Piergies; Edyta,Proniewicz; Andrzej,Kudelski; Agata,Rydzewska; Younkyoo,Kim; Marcin,Andrzejak; Leonard M,Proniewicz
10. Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers. 9802-10页
作者:Miguel A,Soler; Adrian E,Roitberg; Tammie,Nelson; Sergei,Tretiak; Sebastian,Fernandez-Alberti
11. Mechanoanions produced by mechanical fracture of bacterial cellulose: ionic nature of glycosidic linkage and electrostatic charging. 9872-7页
作者:Masato,Sakaguchi; Masakazu,Makino; Takeshi,Ohura; Tadahisa,Iwata
12. Photoconversion of a protonated diarylethene derivative. 9900-3页
作者:Huan-huan,Liu; Xu,Zhang; Zeng,Gao; Yi,Chen
13. Photochemical isomerizations of thiosemicarbazide, a matrix isolation study. 9863-71页
作者:Hanna,Rostkowska; Leszek,Lapinski; Boleslaw,Kozankiewicz; Maciej J,Nowak
14. Reaction kinetics and efficiencies for the hydroxyl and sulfate radical based oxidation of artificial sweeteners in water. 9819-24页
作者:Janie E,Toth; Kimberly A,Rickman; Andre R,Venter; James J,Kiddle; Stephen P,Mezyk
15. Surface effects on the crystallization of cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and the consequences for its N K X-ray emission spectrum. 9897-9页
作者:Ilana G,Goldberg; Fernando D,Vila; Terrence,Jach
16. Generating function approach to the calculation of spectral band shapes of free-base chlorin including Duschinsky and Herzberg-Teller effects. 9934-40页
作者:Raffaele,Borrelli; Amedeo,Capobianco; Andrea,Peluso
17. Excited state tautomerization of 7-azaindole in a 1:1 complex with δ-valerolactam: a comparative study with the homodimer. 9888-96页
作者:Moitrayee,Mukherjee; Shreetama,Karmakar; Tapas,Chakraborty
18. Guest-host interactions investigated by time-resolved X‑ray spectroscopies and scattering at MHz rates: solvation dynamics and photoinduced spin transition in aqueous Fe(bipy)3(2+). 9878-87页
作者:K,Haldrup; G,Vankó; W,Gawelda; A,Galler; G,Doumy; A M,March; E P,Kanter; A,Bordage; A,Dohn; T B,van Driel; K S,Kjær; H T,Lemke; S E,Canton; J,Uhlig; V,Sundström; L,Young; S H,Southworth; M M,Nielsen; C,Bressler
19. Theoretical study of structure, stability, and the hydrolysis reactions of small iridium oxide nanoclusters. 9985-95页
作者:Xin,Zhou; Jingxiu,Yang; Can,Li
20. Lithium amide (LiNH2) under pressure. 10027-36页
作者:Dasari L V K,Prasad; N W,Ashcroft; Roald,Hoffmann
21. Electronic spectra of structurally deformed lutein. 9843-53页
作者:Mindaugas,Macernis; Juozas,Sulskus; Christopher D P,Duffy; Alexander V,Ruban; Leonas,Valkunas
22. Insights into the mechanism of an S(N)2 reaction from the reaction force and the reaction electronic flux. 10015-26页
作者:Santanab,Giri; Eleonora,Echegaray; Paul W,Ayers; Alvaro S,Nuñez; Fernando,Lund; Alejandro,Toro-Labbé
23. Accounting for changes in particle charge, dry mass and composition occurring during studies of single levitated particles. 9941-53页
作者:Allen E,Haddrell; James F,Davies; Akihiro,Yabushita; Jonathan P,Reid
24. Stable radical trianions from reversibly formed sigma-dimers of selenadiazoloquinolones studied by in situ EPR/UV-vis spectroelectrochemistry and quantum chemical calculations. 9919-27页
作者:Andrej,Staško; Karol,Lušpai; Zuzana,Barbieriková; Ján,Rimarčík; Adam,Vagánek; Vladimír,Lukeš; Maroš,Bella; Viktor,Milata; Michal,Zalibera; Peter,Rapta; Vlasta,Brezová