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11.
Samartzis PC Lin JJ Ching TT Chaudhuri C Lee SH Wodtke AM 《The Journal of chemical physics》2007,126(4):041101
We report evidence that cyclic-N(3) is exclusively produced in the 157-nm photolysis of ClN(3). Photoproduct translational energy measurements reveal a single-peaked distribution for an N(3)-formation channel with maximum and minimum translational energies matching the theoretically predicted minimum and maximum binding energies of cyclic-N(3), respectively. The absence of linear-N(3) greatly simplifies the data analysis. The zero-Kelvin heat of formation of cyclic-N(3) is derived experimentally (142+/-3.5 kcal/mol) and is in excellent agreement with the best existing determinations from other studies. 相似文献
12.
13.
Felipe Wodtke Fernando R. Xavier Samuel R. Mendes Alfredo R.M. de Oliveira Rogério A. Gariani 《Tetrahedron letters》2017,58(3):231-234
A novel application of the highly stable niobium oxide phosphate (NbOPO4) as an efficient catalyst for the synthesis of β-enamino ketones under solvent-free conditions is described. This protocol, exhibits attractive yields, short reaction periods, lower loading of catalyst and high chemoselectivity. 相似文献
14.
Quinto-Hernandez A Wodtke AM Bennett CJ Kim YS Kaiser RI 《The journal of physical chemistry. A》2011,115(3):250-264
Methyl azide (CH(3)N(3)) might be a potential precursor in the synthesis of prebiotic molecules via nonequilibrium reactions on interstellar ices initiated by energetic galactic cosmic rays (GCR) and photons. Here, we investigate the effects of energetic electrons as formed in the track of cosmic ray particles and 193 nm photons with solid methyl azide at 10 K and the inherent formation of methanimine (CH(2)NH), hydrogen cyanide (HCN), and hydrogen isocyanide (HNC). We present a systematic kinetic study and outline feasible reaction pathways to these molecules. These processes might be also important in solar system analogue ices. 相似文献
15.
AM Jayannavar 《Pramana》2002,58(2):173-181
We present a simple model of transmission across a metallic mesoscopic ring. In one of its arm an electron interacts with
a single magnetic impurity via an exchange coupling. We show that entanglement between electron and spin impurity states leads
to reduction of Aharonov-Bohm oscillations in the transmission coefficient. The spin-conductance is asymmetric in the flux
reversal as opposed to the two-probe electrical conductance which is symmetric. In the same model, in contradiction to the
naive expectation of a current magnification effect, we observe enhancement as well as suppression of this effect depending
on the system parameters. The limitations of this model to the general notion of dephasing or decoherence in quantum systems
are pointed out. 相似文献
16.
Nils Bartels Bastian C. Krüger Daniel J. Auerbach Alec M. Wodtke Tim Schfer 《Angewandte Chemie (International ed. in English)》2014,53(50):13690-13694
The loss or gain of vibrational energy in collisions of an NO molecule with the surface of a gold single crystal proceeds by electron transfer. With the advent of new optical pumping and orientation methods, we can now control all molecular degrees of freedom important to this electron‐transfer‐mediated process, providing the most detailed look yet into the inner workings of an electron‐transfer reaction and showing how to control its outcome. We find the probability of electron transfer increases with increasing translational and vibrational energy as well as with proper orientation of the reactant. However, as the vibrational energy increases, translational excitation becomes unimportant and proper orientation becomes less critical. One can understand the interplay of all three control parameters from simple model potentials. 相似文献
17.
The leading asymptotic term for the function that counts theeigenvalues of the Stokes operator is determined for fairlygeneral underlying bounded domains. Moreover, the remainderis estimated in terms of the fractality of the boundary of thedomain. The results obtained resemble corresponding ones forthe Dirichlet Laplacian. 1991 Mathematics Subject Classification:35P20. 相似文献
18.
Ji Y Bobadova-Parvanova P Larson C Samartzis PC Morokuma K Lin JJ Ching TT Chaudhuri C Lee SH Wodtke AM 《The Journal of chemical physics》2006,124(24):241106
Accurate thermochemical data of small molecules are invaluable to the progress of every aspect of chemistry, especially in the atmosphere, combustion and industry. In this work, photofragmentation translational spectroscopy and 1st principles electronic structure theory reveal the literature value of the heat of formation of chlorine-isocyanate to be in error by more than 40 kcalmol. We report a revised experimental value for D0(Cl-NCO) = 51+/-3 kcal/mol which leads to a Delta Hf (ClNCO) = 8.5+/-3 kcal/mol. High level ab initio (CCSD(T)) electronic structure calculations extrapolated to the complete basis set limit give D0(Cl-NCO) = 6.3 kcal/mol, in good agreement with experiment. In light of the present results, the destabilization of azides relative to isoelectronic isocyanates has been evaluated empirically for three pairs of related molecules. It is found to be 90-110 kcal/mol, and has been attributed mainly to the weakening of the N-NN bond relative to the N-CO bond. Electronic structure calculations employing decomposition analysis suggest that, compared to homopolar N2, the (+delta)CO(-delta) pi polarity provides better orbital interaction (charge transfer) and electrostatic attraction and results in a closer encounter and larger stabilization between the fragments and that this is the origin of isoelectronic destabilization of azides relative to the isocyanates. 相似文献
19.
Larson C Ji Y Samartzis P Wodtke AM Lee SH Lin JJ Chaudhuri C Ching TT 《The Journal of chemical physics》2006,125(13):133302
Methylazide photolysis at 248 nm has been investigated by ionizing photofragments with synchrotron radiation in a photofragmentation translational spectroscopy study. CH3N and N2 were the only observed primary products. The translational energy release suggests a simple bond rupture mechanism forming singlet methylnitrene, 1CH3N, and N2. Thus, these experiments reveal the unimolecular decomposition of this highly unstable species. We explain our observations through a mechanism which is initiated by the isomerization of 1CH3N to a highly internally excited methanimine H2C=NH isomer, which decomposes by 1,1-H2 elimination forming HNC+H2 as well as sequential H-atom loss (N-H followed by C-H bond cleavage), to form HCN. No evidence for dynamics on the triplet manifold of surfaces is found. 相似文献
20.
A Surface Femtosecond Two-Photon Photoemission Spectrometer for Excited Electron Dynamics and Time-Dependent Photochemical Kinetics 下载免费PDF全文
Ze-feng Ren Chuan-yao Zhou Zhi-bo Ma Chun-lei Xiao Xin-chun Mao Dong-xu Dai Jerry LaRue Russell Cooper Alec M. Wodtke Xue-ming Yang 《化学物理学报(中文版)》2010,23(3):255-261
A surface femtosecond two-photon photoemission (2PPE) spectrometer devoted to the study of ultrafast excited electron dynamics and photochemical kinetics on metal and metal oxide surfaces has been constructed. Low energy photoelectrons are measured using a hemispheri-cal electron energy analyzer with an imaging detector that allows us to detect the energy and the angular distributions of the photoelectrons simultaneously. A Mach-Zehnder interferom-eter was built for the time-resolved 2PPE (TR-2PPE) measurement to study ultrafast surface excited electron dynamics, which was demonstrated on the Cu(111) surface. A scheme for measuring time-dependent 2PPE (TD-2PPE) spectra has also been developed for studies of surface photochemistry. This technique has been applied to a preliminary study on the photochemical kinetics on ethanol/TiO2(110). We have also shown that the ultrafast dy-namics of photoinduced surface excited resonances can be investigated in a reliable way by combining the TR-2PPE and TD-2PPE techniques. 相似文献