2014年第118卷01期
共33篇1. Nonequilibrium H/D isotope effects from trajectory-based nonadiabatic dynamics. 152-7页
作者:Lasse,Spörkel; Ganglong,Cui; Axel,Koslowski; Walter,Thiel
2. Two dimensional imaging of the virtual source of a supersonic beam: helium at 125 K. 4-12页
作者:S D,Eder; G,Bracco; T,Kaltenbacher; B,Holst
3. Global optimization of 8-10 atom palladium-iridium nanoalloys at the DFT level. 208-14页
作者:Jack B A,Davis; Sarah L,Horswell; Roy L,Johnston
4. Activation of gas-phase uranyl: from an oxo to a nitrido complex. 325-30页
作者:Yu,Gong; Valérie,Vallet; Maria del Carmen,Michelini; Daniel,Rios; John K,Gibson
5. Theoretical study of novel azo-tetraphenylporphyrins: potential photovoltaic materials. 197-207页
作者:Elizabeth,Hernandez-Marin; Carolina,Caicedo; Ernesto,Rivera; Ana,Martínez
6. Nonlinear optical pulse suppression via ultrafast photoinduced electron transfer in an aggregated perylene diimide/oligothiophene molecular triad. 110-21页
作者:Matthew M,Sartin; Chun,Huang; Ariel S,Marshall; Nikolay,Makarov; Stephen,Barlow; Seth R,Marder; Joseph W,Perry
7. Reaction analysis for deprotonation of the sulfonic group of perfluorosulfonic acid molecules at low hydration levels. 275-82页
作者:Hironori,Sakai; Takashi,Tokumasu
8. Conformational equilibria in butane-1,4-diol: a benchmark of a prototypical system with strong intramolecular H-bonds. 293-303页
作者:Sebastian,Kozuch; Steven M,Bachrach; Jan M L,Martin
9. Tunneling above the crossover temperature. 78-82页
作者:Sonia,Alvarez-Barcia; Jesús R,Flores; Johannes,Kästner
10. Thermochemistry and kinetics for 2-butanone-1-yl radical (CH2·C(═O)CH2CH3) reactions with O2. 21-37页
作者:N,Sebbar; J W,Bozzelli; H,Bockhorn
11. Multistate photochromism of 1-phenylnaphthalene-bridged imidazole dimer that has three colorless isomers and two colored isomers. 134-43页
作者:Tetsuo,Yamaguchi; Sayaka,Hatano; Jiro,Abe
12. Mechanisms of ultrafast excited-state deactivation in adenosine. 122-7页
作者:Deniz,Tuna; Andrzej L,Sobolewski; Wolfgang,Domcke
13. Surface photochemistry of adsorbed nitrate: the role of adsorbed water in the formation of reduced nitrogen species on α-Fe2O3 particle surfaces. 158-66页
作者:Charith E,Nanayakkara; Pradeep M,Jayaweera; Gayan,Rubasinghege; Jonas,Baltrusaitis; Vicki H,Grassian
14. Scalar relaxation of the second kind - a potential source of information on the dynamics of molecular movements. 2. Magnetic dipole moments and magnetic shielding of bromine nuclei. 128-33页
作者:Adam,Gryff-Keller; Sergey,Molchanov; Artur,Wodyński
15. Solvent effect on anthranilic acid spectroscopy. 103-9页
作者:Osama K,Abou-Zied; Badriya Y,Al-Busaidi; John,Husband
16. Analysis of the hydration water around bovine serum albumin using terahertz coherent synchrotron radiation. 83-8页
作者:Jordan W,Bye; Stefano,Meliga; Denis,Ferachou; Gianfelice,Cinque; J Axel,Zeitler; Robert J,Falconer
17. Chain or ring: which one is favorable in nitrogen-rich molecules N6XHm, N8XHm, and N10XHm (X = B, Al, Ga, m = 1 and X = C, Si, Ge, m = 2)? 248-59页
作者:Yanhong,Liang; Nan,Li
18. Comprehensive analysis of Gly-Leu-Gly-Gly-Lys peptide dication structures and cation-radical dissociations following electron transfer: from electron attachment to backbone cleavage, ion-molecule complexes, and fragment separation. 308-24页
作者:Robert,Pepin; Kenneth J,Laszlo; Bo,Peng; Aleš,Marek; Matthew F,Bush; František,Tureček
19. Storage capacity and vibration frequencies of guest molecules in CH4 and CO2 hydrates by first-principles calculations. 215-22页
作者:Xiaoxiao,Cao; Yan,Su; Yuan,Liu; Jijun,Zhao; Changling,Liu
20. Approaches to measuring entanglement in chemical magnetometers. 13-20页
作者:M,Tiersch; G G,Guerreschi; J,Clausen; H J,Briegel
21. Substitutional photoluminescence modulation in adducts of a europium chelate with a range of alkali metal cations: a gas-phase study. 94-102页
作者:Jean-Francois,Greisch; Michael E,Harding; Bernhard,Schäfer; Martin,Rotter; Mario,Ruben; Wim,Klopper; Manfred M,Kappes; Detlef,Schooss
22. Description of aromaticity with the help of vibrational spectroscopy: anthracene and phenanthrene. 223-37页
作者:Robert,Kalescky; Elfi,Kraka; Dieter,Cremer
23. Comparison of unimolecular decomposition pathways for carboxylic acids of relevance to biofuels. 260-74页
作者:Jared M,Clark; Mark R,Nimlos; David J,Robichaud
24. High-temperature measurements of the reactions of OH with ethylamine and dimethylamine. 70-7页
作者:Sijie,Li; Enoch,Dames; David F,Davidson; Ronald K,Hanson
25. Quantum chemistry investigation of fluorinated polymer systems of industrial interest. 238-47页
作者:Evangelos,Mavroudakis; Danilo,Cuccato; Marco,Dossi; Giovanni,Comino; Davide,Moscatelli
26. Excited state intramolecular proton transfer in π-expanded phenazine-derived phenols. 144-51页
作者:Joanna,Piechowska; Kirsi,Virkki; Bartłomiej,Sadowski; Helge,Lemmetyinen; Nikolai V,Tkachenko; Daniel T,Gryko
27. Time-resolved EPR study on the photoexcited triplet state of the electron-donor-acceptor complex formed in the system of fac-tris[2-(4-octyl-phenyl) pyridine] iridium(III) and tetracene. 89-93页
作者:Fu,Zhebin; Yoshioka,Shuhei; Murai,Hisao
28. Formation of hydrogen polyoxides as constituents of peroxy radical condensate upon low-temperature interaction of hydrogen atoms with liquid ozone. 62-9页
作者:Alexander V,Levanov; Oksana Ya,Isaykina; Ewald E,Antipenko; Valerii V,Lunin
29. Determination of the rate constant for the OH(X2Π) + OH(X2Π) → H2O + O(3P) reaction over the temperature range 295 to 701 K. 38-54页
作者:Gokhan,Altinay; R Glen,Macdonald
30. Chiroptical inversion induced by rotation of a carbon-carbon single bond: an experimental and theoretical study. 283-92页
作者:Wei,Lu; Ganhong,Du; Keyuan,Liu; Liming,Jiang; Jun,Ling; Zhiquan,Shen
31. Anisotropic Mo2-phthalocyanine sheet: a new member of the organometallic family. 304-7页
作者:Guizhi,Zhu; Min,Kan; Qiang,Sun; Puru,Jena