全文获取类型
收费全文 | 2717篇 |
免费 | 304篇 |
国内免费 | 194篇 |
专业分类
化学 | 2135篇 |
晶体学 | 25篇 |
力学 | 12篇 |
综合类 | 5篇 |
数学 | 17篇 |
物理学 | 1021篇 |
出版年
2023年 | 27篇 |
2022年 | 65篇 |
2021年 | 103篇 |
2020年 | 125篇 |
2019年 | 84篇 |
2018年 | 76篇 |
2017年 | 82篇 |
2016年 | 127篇 |
2015年 | 132篇 |
2014年 | 101篇 |
2013年 | 206篇 |
2012年 | 103篇 |
2011年 | 101篇 |
2010年 | 79篇 |
2009年 | 132篇 |
2008年 | 113篇 |
2007年 | 187篇 |
2006年 | 160篇 |
2005年 | 94篇 |
2004年 | 85篇 |
2003年 | 110篇 |
2002年 | 107篇 |
2001年 | 91篇 |
2000年 | 52篇 |
1999年 | 75篇 |
1998年 | 70篇 |
1997年 | 53篇 |
1996年 | 37篇 |
1995年 | 31篇 |
1994年 | 30篇 |
1993年 | 20篇 |
1992年 | 31篇 |
1991年 | 19篇 |
1990年 | 23篇 |
1989年 | 25篇 |
1988年 | 23篇 |
1987年 | 12篇 |
1986年 | 27篇 |
1985年 | 17篇 |
1984年 | 19篇 |
1983年 | 13篇 |
1982年 | 14篇 |
1981年 | 15篇 |
1980年 | 17篇 |
1979年 | 17篇 |
1978年 | 12篇 |
1977年 | 13篇 |
1976年 | 18篇 |
1975年 | 9篇 |
1973年 | 13篇 |
排序方式: 共有3215条查询结果,搜索用时 203 毫秒
81.
Kati Finzel 《International journal of quantum chemistry》2014,114(9):568-576
The electronic stress tensor is not uniquely defined. Possible bonding indicators originating from the quantum stress tensor may inherit this ambiguity. Based on a general formula of the stress tensor this ambiguity can be described by an external parameter λ for indicators derived from the scaled trace of the stress tensor (whereby the scaling function is proportional to the Thomas–Fermi kinetic energy density). The influence of λ is analyzed and the consequences for the representation of chemical bonding are discussed in detail. It is found that the scaled trace of the stress tensor may serve as suitable bonding indicator over a wide range of λ values, excluding the value range between ?0.15 and ?0.48. Focusing on the eigenvalues of the stress tensor, it is found that the sign of the eigenvalues heavily depends on the chosen representation of the stress tensor. Therefore, chemical bonding analyses which are based on the interpretation of the eigenvalue sign (e.g., the spindle structure) are strongly dependent on the chosen form of the stress tensor. © 2014 Wiley Periodicals, Inc. 相似文献
82.
A fundamentally new recognition method of bio-objects (e.g., cancer cells as the most important case of them) that escape the immune system supervision control is suggested. It is proposed to use a unified complex consisting of several molecular groups (e.g., antibodies or their fragments) bound with each other. Binding targets are localized on the surface of this bio-object. The choice of the targets is determined by antigen profiling being expressed on the surface of these bio-objects. The recognition efficiency appears to be notably higher than in a situation when molecular groups do not form a unified complex and act separately. 相似文献
83.
《印度化学会志》2021,98(9):100122
Salophen is a weakly fluorescent Schiff base which forms emissive co-ordination complexes with Zn2+ and Al3+. The complex with Al3+ is significantly more fluorescent than that with Zn2+, presumably because the dimeric complex with Zn2+ is associated with additional nonradiative channels. This contention has been put to test, through a careful investigation of excited state dynamics of the anionic form of salophen (Sal2−), which is the form in which the ligand exists in the complexes. The emissive excited state of the anion (Sal2−) has been found to be solvated and conformationally relaxed, over tens of picosecond. It is significantly more fluorescent than the neutral compound, with fluorescence lifetime that is longer by almost two orders of magnitude. Fluorescence lifetime of the anion is in fact longer than that of the complex with Zn2+ and slightly less than that of the complex with Al3+. So, the earlier hypothesis about additional nonradiative deactivation pathways in the Zn2+ complex gains credence from the present study. 相似文献
84.
Jiawei Zhang Yiliu Liu Bin Yuan Prof. Zhiqiang Wang Prof. Monika Schönhoff Prof. Xi Zhang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(47):14968-14973
Stable multilayer films with cucurbit[8]uril have been fabricated on the basis of the alternating layer‐by‐layer assembly of a novel side‐chain pseudopolyrotaxane and a photoreactive polyanion. The as‐prepared multilayer films exhibit good properties as surface‐imprinted multilayers, because cucurbit[8]uril molecules that are locked inside the multilayers can act as nanocontainers with specific binding to certain guest molecules, and the loading and release of the guest is redox‐controllable and reversible. 相似文献
85.
Kyoichi Hanada Juntaro Nogami Prof. Dr. Kazunori Miyamoto Norihiko Hayase Dr. Yuki Nagashima Yusuke Tanaka Dr. Atsuya Muranaka Prof. Dr. Masanobu Uchiyama Prof. Dr. Ken Tanaka 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(36):9313-9319
The enantioselective synthesis of aza[6] and [7]helicene-like molecules have been achieved by the cationic rhodium(I)/axially chiral biaryl bisphosphine complex-catalyzed intramolecular [2+2+2] cycloaddition of cyanodiynes. This protocol was successfully applied to the diastereo- and enantioselective synthesis of an S-shaped double aza[6]helicene-like molecule with a high ee value of 89 %. Although no epimerization and racemization were observed in the double carbo[6]helicene-like molecule at 80 °C, epimerization and racemization of the double aza[6]helicene-like molecule proceeded at 80 °C. This double aza[6]helicene-like molecule showed good fluorescent quantum yields and chiroptical responses under both neutral and acidic conditions. 相似文献
86.
87.
88.
Pavel M. Polestshuk 《Journal of computational chemistry》2013,34(3):206-219
The approach for the integration over a region covered by zero‐flux surface is described. This approach based on the surface triangulation technique is efficiently realized in a newly developed program TWOE . The elaborated method is tested on several atomic properties including the source function. TWOE results are compared with those produced by using well‐known existing programs. Absolute errors in computed atomic properties are shown to range usually from 10?6 to 10?5 au. The demonstrative examples prove that present realization has perfect convergence of atomic properties with increasing size of angular grid and allows to obtain highly accurate data even in the most difficult cases. It is believed that the developed program can be bridgehead that allows to implement atomic partitioning of any desired molecular property with high accuracy. © 2012 Wiley Periodicals, Inc. 相似文献
89.
Daniel D. Stöbener Dorian Donath Marie Weinhart 《Journal of polymer science. Part A, Polymer chemistry》2018,56(21):2496-2504
Low-molecular weight linear poly(glycidyl ether)s are typically synthesized via the “classical,” oxy-anionic ring-opening polymerization (ROP) of glycidyl ether monomers at elevated temperatures. To reduce reaction times, a fast process was developed to synthesize oligo(glycidyl ether)s (OGEs) in bulk at a gram-scale utilizing microwave heating. Well-defined thermoresponsive copolymers comprising glycidyl methyl ether and ethyl glycidyl ether with molecular weights of up to 3 kDa were synthesized via microwave-assisted ROP with reaction times of approximately 10 min. The fast reaction kinetics were attributed to the rapid and uniform heating and high temperatures reached during the reaction. Consequently, no significant microwave-specific acceleration of the oxy-anionic ROP was observed. The temperature-triggered phase transition of the OGEs in aqueous solution revealed cloud point temperatures that are highly dependent on the OGE molecular weight, concentration, and comonomer composition, which extends previously reported data. Furthermore, oligo(glycidyl ether) acrylates (OGEAs) with reactive, functional end groups were directly accessible via in situ quenching of the anionic, microwave-assisted ROP with acrylic acid chloride. The obtained thermoresponsive OGEA macromonomers represent a promising material for the functionalization of surfaces via radical grafting methods to obtain functional, thermoresponsive coatings with potential application in cell culture. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 2496–2504 相似文献
90.
GEORGE JOHN HIROYUKI MINAMIKAWA MITSUTOSHI MASUDA TOSHIMI SHIMIZU 《Liquid crystals》2013,40(6):747-749
Two novel aryl glycosides were synthesized, which varied in the extent of unsaturation in the lipophilic part, from plant/crop-based renewable resource materials. Their liquid crystalline properties were characterized by optical polarizing microscopy, differential scanning calorimetry and X-ray diffraction. All the mesophases are identified as lamellar in structure. 相似文献