全文获取类型
收费全文 | 235篇 |
免费 | 4篇 |
国内免费 | 1篇 |
专业分类
化学 | 166篇 |
晶体学 | 1篇 |
物理学 | 73篇 |
出版年
2021年 | 3篇 |
2020年 | 3篇 |
2019年 | 3篇 |
2018年 | 4篇 |
2016年 | 2篇 |
2013年 | 15篇 |
2012年 | 9篇 |
2011年 | 13篇 |
2010年 | 12篇 |
2009年 | 4篇 |
2008年 | 4篇 |
2007年 | 11篇 |
2006年 | 14篇 |
2005年 | 12篇 |
2004年 | 14篇 |
2003年 | 5篇 |
2002年 | 5篇 |
2001年 | 4篇 |
2000年 | 3篇 |
1997年 | 2篇 |
1996年 | 2篇 |
1995年 | 5篇 |
1994年 | 3篇 |
1993年 | 6篇 |
1992年 | 6篇 |
1991年 | 2篇 |
1989年 | 3篇 |
1988年 | 5篇 |
1985年 | 3篇 |
1984年 | 3篇 |
1983年 | 1篇 |
1982年 | 4篇 |
1981年 | 4篇 |
1980年 | 1篇 |
1979年 | 2篇 |
1978年 | 9篇 |
1977年 | 6篇 |
1976年 | 1篇 |
1975年 | 5篇 |
1974年 | 1篇 |
1973年 | 6篇 |
1972年 | 3篇 |
1971年 | 2篇 |
1969年 | 1篇 |
1968年 | 1篇 |
1967年 | 1篇 |
1943年 | 1篇 |
1933年 | 1篇 |
1923年 | 2篇 |
1900年 | 2篇 |
排序方式: 共有240条查询结果,搜索用时 0 毫秒
11.
Doiphode Vidya Vairale Priti Sharma Vidhika Waghmare Ashish Punde Ashvini Shinde Pratibha Shah Shruti Pandharkar Subhash Hase Yogesh Aher Rahul Nair Shruthi Jadkar Vijaya Bade Bharat Prasad Mohit Rondiya Sachin Jadkar Sandesh 《Journal of Solid State Electrochemistry》2021,25(6):1835-1846
Journal of Solid State Electrochemistry - Herein, we report the synthesis of ZnO nanorod films onto FTO (fluorine-doped tin oxide) substrates using the solution-processed electrodeposition method.... 相似文献
12.
Park K Engelkemier J Persico M Manikandan P Hase WL 《The journal of physical chemistry. A》2011,115(24):6603-6609
Algorithms are presented for sampling quantum microcanonical ensembles for a potential energy minimum and for the conical intersection at the minimum energy crossing point of two coupled electronic states. These ensembles may be used to initialize trajectories for chemical dynamics simulations. The unimolecular dynamics of a microcanonical ensemble about a potential energy minimum may be compared with the dynamics predicted by quantum Rice-Ramsperger-Kassel-Marcus (RRKM) theory. If the dynamics is non-RRKM, it will be of particular interest to determine which states have particularly long lifetimes. Initializing a microcanonical ensemble for the electronically excited state at a conical intersection is a model for electronic nonadiabatic dynamics. The trajectory surface-hopping approach may be used to study the ensuing chemical dynamics. A strength of the model is that zero-point energy conditions are included for the initial nonadiabatic dynamics at the conical intersection. 相似文献
13.
de Santana Felipe Silva Gracioso Louise Hase Karolski Bruno dos Passos Galluzzi Baltazar Marcela Mendes Maria Anita do Nascimento Claudio Augusto Oller Perpetuo Elen Aquino 《Applied biochemistry and biotechnology》2019,189(1):103-115
Applied Biochemistry and Biotechnology - The human exposure to bisphenol A (BPA) occurs frequently. Once, this compound was one of the highest volume chemicals produced worldwide and used as a... 相似文献
14.
Jiang Tian Liu Hannes Hase Sarah Taylor Dr. Ingo Salzmann Dr. Pat Forgione 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(18):7212-7219
A library of symmetrical linear oligothiophene was prepared employing decarboxylative cross-coupling reaction as the key transformation. Thiophene potassium carboxylate salts were used as cross-coupling partners without the need of co-catalyst, base, or additives. This method demonstrates complete chemoselectivity and is a comprehensive greener approach compared to the existing methods. The modularity of this approach is demonstrated with the preparation of discreet oligothiophenes with up to 10 thiophene repeat units. Symmetrical oligothiophenes are prototypical organic semiconductors where their molecular electrical doping as a function of the chain length can be assessed spectroscopically. An oligothiophene critical length for integer charge transfer was observed to be 10 thiophene units, highlighting the potential use of discrete oligothiophenes as doped conduction or injection layers in organic electronics applications. 相似文献
15.
Yasuto Uchio Junzo Toyota Hiroshi Nozaki Mitsuru Nakayama Yoshifumi Nishizono Tsunao Hase 《Tetrahedron letters》1981,22(41):4089-4092
The structures of lobohedleolide (1) and (7Z)-lobohedleolide (2), two new cembranolides containing the α,β-unsaturated carboxylic acid system isolated from the Japanese soft coral Lobophytum hedleyi Whitelegge, were elucidated from spectral and chemical evidence, and the absolute configuration of (1) was determined by X-ray analysis of its p-bromophenacyl ester (9). Lobohedleolide (1) showed growth inhibition of the in vitro Hella cells. 相似文献
16.
Park K West A Raheja E Sellner B Lischka H Windus TL Hase WL 《The Journal of chemical physics》2010,133(18):184306
Electronic structure calculations at the CASSCF and UB3LYP levels of theory with the aug-cc-pVDZ basis set were used to characterize structures, vibrational frequencies, and energies for stationary points on the ground state triplet and singlet O(2)+C(2)H(4) potential energy surfaces (PESs). Spin-orbit couplings between the PESs were calculated using state averaged CASSCF wave functions. More accurate energies were obtained for the CASSCF structures with the MRMP2/aug-cc-pVDZ method. An important and necessary aspect of the calculations was the need to use different CASSCF active spaces for the different reaction paths on the investigated PESs. The CASSCF calculations focused on O(2)+C(2)H(4) addition to form the C(2)H(4)O(2) biradical on the triplet and singlet surfaces, and isomerization reaction paths ensuing from this biradical. The triplet and singlet C(2)H(4)O(2) biradicals are very similar in structure, primarily differing in their C-C-O-O dihedral angles. The MRMP2 values for the O(2)+C(2)H(4)→C(2)H(4)O(2) barrier to form the biradical are 33.8 and 6.1 kcal/mol, respectively, for the triplet and singlet surfaces. On the singlet surface, C(2)H(4)O(2) isomerizes to dioxetane and ethane-peroxide with MRMP2 barriers of 7.8 and 21.3 kcal/mol. A more exhaustive search of reaction paths was made for the singlet surface using the UB3LYP/aug-cc-pVDZ theory. The triplet and singlet surfaces cross between the structures for the O(2)+C(2)H(4) addition transition states and the biradical intermediates. Trapping in the triplet biradical intermediate, following (3)O(2)+C(2)H(4) addition, is expected to enhance triplet→singlet intersystem crossing. 相似文献
17.
2, 3, 4-Trimethoxybenzaldehyde, -acetophenone and -benzoic acid give the corresponding 2, 3-dihydroxy-4-methoxy compounds in good yield on treatment with BCl3. 相似文献
18.
O. V. Misochko R. Lu M. Hase M. Kitajima 《Journal of Experimental and Theoretical Physics》2007,104(2):245-253
The relative contributions of the anharmonicity of the lattice potential and the nonequilibrium concentration of charge carriers to the time dependence of the coherent A 1g phonon frequency in bismuth excited by high-energy ultrashort laser pulses are studied by the coherent control method. The contributions are separated by the pump-probe method in which excitation is performed by two pulses with a controlled time delay. It is shown that, depending on the relative delay between the pump pulses, both correlation and anticorrelation between the amplitude and the initial frequency of oscillations are observed while the chirp and the initial frequency of the coherent phonon are anticorrelated. In addition, it has been found that the contributions of the lattice and the electronic subsystem are always anticorrelated. Therefore, a certain phase can be assigned to an electronic excitation and it may be suggested that the time dependence of the phonon frequency is determined not only by instantaneous values of the lattice and electronic response but also by the phase relations between them. 相似文献
19.
We present a detailed de Haas-van Alphen effect study of the perovskite CaVO3, offering an unprecedented test of electronic structure calculations in a 3d transition metal oxide. Our experimental and calculated Fermi surfaces are in good agreement, but only if we ignore large orthorhombic distortions of the cubic perovskite structure. Subtle discrepancies may shed light on an apparent conflict between the low energy properties of CaVO3, which are those of a simple metal, and high energy probes which reveal strong correlations that place CaVO3 on the verge of a metal-insulator transition. 相似文献
20.
It is explicitly shown that the ionic (buckling) model of the Si(111) 2×1 reconstructed surface should exhibit specific polarization dependences in its optical absorption spectrum between the split dangling bond bands. This can be a definite method to distinguish the ionic and covalent (pairing) models for this reconstructed surface. 相似文献