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| 1 | Seismic Sequence in Carbonate Rocks By Vibrational Liquefaction显示文摘On the basis of the records of strong seismic events taking place in soft carbonate sediments, a new seismic sequence system of vibrational liquefaction is established, which consists of a series of units, such as escaped structure of micrite veins and liquefied deformation formed in the period of seismic liquefaction, land subsidence structure after liquefaction, tsunamic hummocky and turbidite produced by seismic events, This sequence is a generalization and summation of field observation in vast areas, which shows the whole process of a strong seismic event and provides an unified theoretical explanation. The pattern of the seismic sequence by vibrational liquefaction provides one of correlation standards for geologists in the field to discriminate events in carbonate sequences. Based on the pattern of seismic sequence, the authors first advance a new conception of the Palaeo-Tanlu (Tancheng-Lujiang) Zone and discuss primarily its geological significations. | Qiao Xiufu, Song Tianrui, Gao Linzhi, Peng Yang, Li Haibing, Gao Mai, Song Biao and Zhang QiaodaInstitute of Geology, Chinese Academy of Geological Sciences, Beijing | 1994 | Acta Geologica Sinica(English Edition)1994，68，3： | 39 |
| 2 | THEORETICAL CALCULATION OF VIBRATIONAL AND ROTATIONAL EXCITATION CROSS SECTIONS FOR He-H_2 COLLISION显示文摘In this paper, Tang-Toennies potential is applied to the He-H2 system and the variationof A, b and C2n with r is formulated. The dispersion coefficients obtained are in fairly goodagreement with those acquired by the universally accepted method of Meyer et al. and theyalso conform with the outcome that K. T. Tang and J. Peter Toennies achieved. As a result,the He-H2 potential function done by the author matches, when r and R are varied, the resu-1ts calculated by Meyer within large region. Using such a potential function, the author hascomputed the forty-four different kinds of vibrational and rotational excitation cross sectionsfor He-H2 collision, and conducted research on the changing patterns of the partial wavecross sections for elastic atom-molecule collision and the partial wave excitation cross sectionsfor inelastic collision with the increase of quantum number. | 杨向东 | 1991 | Science China Mathematics1991，34，1： | 14 |
| 3 | Accurate studies on dissociation energies of diatomic molecules显示文摘The molecular dissociation energies of some electronic states of hydride and N2 molecules were studied using a parameter-free analytical formula suggested in this study and the algebraic method (AM) proposed recently. The results show that the accurate AM dissociation energies DeAM agree excellently with experimental dissociation energies Deexpt, and that the dissociation energy of an electronic state such as the 23Δg state of 7Li2 whose experimental value is not available can be predicted using the new formula. | SUN WeiGuo1, FAN QunChao1 & REN WeiYi1,2 1 Institute of Physics, Sichuan University, Chengdu 610065, China 2 Institute of Theoretical Physics, Xihua Normal University, Nanchong 637002, China | 2007 | Science China(Physics,Mechanics & Astronomy)2007，50，5： | 10 |
| 4 | Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of N_(2)molecule显示文摘It is usually very difficult to directly obtain molecular dissociation energy De and all accurate high-lying vibrational energies for most diatomic electronic states using modern experimental techniques or quantum theories, and it is also very difficult to give accurate analytical expression for diatomic molecular dissociation energy. This study proposes a new analytical formula for obtaining accurate molecular dissociation energy based on the LeRoy and Bernstein’s energy expression in dissociation limit. A set of full vibrational energy spectra for some electronic states of N2 molecule are studied using the algebraic method (AM) suggested recently, and the corresponding accurate molecular dissociation energies are evaluated using the proposed new formula and high-lying AM vibrational energies. The results show that the AM spectra and the new theoretical dissociation energies agree excellently with experimental data, and thereby providing a new physical approach to generating accurate dissociation energies for electronic states of diatomic molecules. | REN Weiyi1,2, SUN Weiguo1, HOU Shilin3 & FENG Hao4 1. Institute of Physics, College of Chemical Engineering, Sichuan University, Chengdu 610065, China 2. Institute of Theoretical Physics, Xihua Normal University, Nanchong 637002, China 3. Department of Physics, China Oceanography University, Qingdao 266003, China 4. College of Physics, Sichuan University, Chengdu 610065, China | 2005 | Science China(Physics,Mechanics & Astronomy)2005，48，4： | 4 |
| 5 | Studies on dissociation energies of diatomic molecules using vibrational spectroscopic constants显示文摘New analytical expression and numerical approach are suggested to calculate dissociation energies De of diatomic molecular states using an extreme value method (EVM). Studies on some electronic states of OH, BH, N2, Br2, ClF and CO molecules show that the accuracy of the EVM dissociation energies depends on the number of correct vibrational constants used in the calculations. The convergence qualities of De are suggested to be an alternative physical criterion to measure the qualities of the various sets of vibrational constants from different literature for the same diatomic state. | 侯世林 孙卫国 | 2003 | Science China(Physics,Mechanics & Astronomy)2003，46，3： | 3 |
| 6 | Coordination corrected ab initio formation enthalpies显示文摘The correct calculation of formation enthalpy is one of the enablers of ab-initio computational materials design.For several classes of systems(e.g.oxides)standard density functional theory produces incorrect values.Here we propose the“coordination corrected enthalpies”method(CCE),based on the number of nearest neighbor cation–anion bonds,and also capable of correcting relative stability of polymorphs.CCE uses calculations employing the Perdew,Burke and Ernzerhof(PBE),local density approximation(LDA)and strongly constrained and appropriately normed(SCAN)exchange correlation functionals,in conjunction with a quasiharmonic Debye model to treat zero-point vibrational and thermal effects.The benchmark,performed on binary and ternary oxides(halides),shows very accurate room temperature results for all functionals,with the smallest mean absolute error of 27(24)meV/atom obtained with SCAN.The zero-point vibrational and thermal contributions to the formation enthalpies are small and with different signs—largely canceling each other. | Rico Friedrich Demet Usanmaz Corey Oses Andrew Supka Marco Fornari Marco Buongiorno Nardelli Cormac Toher Stefano Curtarolo | 2019 | npj Computational Materials2019，，1： | 3 |
| 7 | THE THEORETICAL STUDIES OF PRODUCT ALIGNMENT OF THE REACTIONS OF Na,F WITH CH_3I显示文摘The NaI and IF product rotational alignment of the reactionsof Na,F+CH3I has been theoretically studied in a LEPS PES.Theproduct alignment versus the relative translational energy of the reactantshas been obtained. | Ke Li HAN Guo Zhong HE Nan Quan LOU State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,CAS,Dalian 116012,China | 1993 | Chinese Chemical Letters1993，4，6： | 3 |
| 8 | High-sensitivity infrared vibrational nanospectroscopy in water显示文摘Mid-infrared vibrational spectroscopy is a universal label-free tool for identifying molecular compounds in chemical and biological samples on the basis of their‘fingerprint’vibrational absorption lines.Vibrational spectroscopy with nanometer spatial resolution can reveal the chemical composition of samples at the nanoscale,and several scanning-probe techniques have been developed to address this need1–22.It is also highly desirable to study biological and chemical samples in their native aqueous environments rather than in air.In aqueous environments,however,the sensitivity of the current vibrational nanospectroscopy techniques deteriorates dramatically7,23.Here,we report the first mid-infrared nanospectroscopy technique that retains nanoscale sensitivity and spatial resolution when the sample and the scanning probe are completely immersed in water.This method overcomes challenges including water absorption and scattering and the mechanical damping of cantilever vibrations.We further demonstrate spectroscopy and imaging of 20-to 50-nmthick polymer samples with a 25-nm spatial resolution in the biologically relevant Amide I and II spectral regions. | Mingzhou Jin Feng Lu Mikhail A Belkin | 2017 | Light(Science & Applications)2017，6，1： | 3 |
| 9 | Structure and stability of (AlN)_n clusters显示文摘AIN and Al2N2 have been observed in the record of time-of-flight mass-spectra as positive ions. Associating with density functional theory(DFT) B3LYP method with 6-31G* basis set, we have carried out the optimizing calculations of the geometry, electronic state and vibrational frequency for (AIN)n (n = 1-15) clusters, moreover, discussed the character of the chemical bond and thermodynamical stability and explained the experimental mass spectra. The results show that there do not exist AI-AI and N-N bonds and only exists AI-N bond in the ground state structures of (AIN)n clusters; and the 'magical number' regularity of (AIN)n is those whose atom number Is 4, 8, 12,16, 20, etc, all of which are times of four. | 武海顺 张聪杰 许小红 郑兰荪 张乾二 | 2000 | Science China Chemistry2000，43，6： | 2 |
| 10 | An SCF-CI method for determining the potential energy surface of a triatomic molecule显示文摘A self-consistent-field (SCF)-configuration interaction (CI) (SCF-CI) method for determining the potential energy surface of a triatomic molecule from the observed vibrational band origins has been suggested. By this method, the SCF-CI procedure in the internal coordinates is used to calculate the vibrational bond origins and their first derivatives with respect to parameters in the potential energy function using the exact vibrational Hamiltonian, and the optimizer LMF in the nonlinear-squares problem is employed to optimize parameters in the potential energy function. This approach is used to optimize the potential energy function of the water molecule. The standard deviation of this fitting to the 70 observed band origins is 1.154cm-1. | 谢代前 鄢国森 | 1996 | Science China Chemistry1996，39，4： | 2 |
| 11 | Vibrational frequencies of hydrazoic acid and methyl azide: density functional theory study显示文摘Harmonic vibrational frequencies of HN3 and CH3N3 molecules and their several isotopomers are calculated using HF, MP2 and five popular density functional theory (DFT) methods. On the basis of the comparison between calculated and experimental results, assignments of fundamental vibrational modes arc examined. HF and MP2 results are in bad agreement with experimental values. Of the five DFT methods, BLYP reproduces the observed fundamental frequencies the most satisfactorily. Two hybrid DFT methods are found to yield frequencies generally higher than the observed fundamental frequencies. The results indicate that BLYP calculation is a very promising approach for understanding the observed spectral features. | 周正宇 杜冬梅 付爱萍 俞庆森 | 2000 | Chinese Journal of Chemistry2000，18，3： | 2 |
| 12 | A study on the bonding structure of CaO-SiO_2 slag by means of molecular dynamics simulation显示文摘The investigation results of the bonding structure of CaO-SiO2 slag by means of molecular dynamics simulation are presented. The characteristics of partial radial distribution function gij (r) are in good agreement with the measurement of X-ray diffraction, and the variation of Qn with different SiO4 tefrahedra following the change of XCaO is consistent with the results of Raman spectroscopy. The partial vibrational density of states FSi(ω) shows that two bands appear in the range of 636-737 cm-1 and 800-1200 cm-1 respectively which are also consistent with Raman spectroscopy. | 徐匡迪 蒋国昌 黄世萍 尤静林 | 1999 | Science China(Technological Sciences)1999，42，1： | 2 |
| 13 | Time-domain analysis for vibration and sound radiation of submerged spherical shell excited by force显示文摘The vibration and sound radiation of a submerged spherical shellare studied in the time-domain by Laplace transform method,where a CWpulse force acts at the apex of the shell.The numerical results for the case oflong pulse show that the different vibrational modes and the resonant or beatradiated sound are excited for different carrier-frequencies,but litle sound is ra-diated for some vibrational modes.For the case of short pulse the waveformsof the pulse become widened and deformed,when the pulse propagates betweenapexes of the shell.Then,the Doubly Asymptotic Approximations(DAA2)and Kirchhoff‘s Retarded Potential Formulate (KRPF) are used to solve thesame problem.It is shown that the results of DAA2 and KRPF method have agood agreement with the results of Laplace transform method. | ZHANG Jingdong(Harbin Shipbuilding Engineering Institute) | 1990 | Chinese Journal of Acoustics1990，9，2： | 2 |
| 14 | Vibrational excitation differential cross sections of low-energy electron scattering from N_2 molecule显示文摘The vibrational excitation differential cross sections (DCS) of low-energy electron-N2 scattering are studied using vibrational close-coupling (VCC) scattering method and quantum scattering potentials which include static, exchange, and polarization contributions based on ab initio calculations. By including the contributions of 11 partial waves (up to l=21), 15 vibrational states, and 16 molecular symmetries (up to Λ=7), the converged vibrational excitation (0→2, 0→3, 0→4) DCSs, the scattering resonance, and the vibrational multi-peak structure agree well with experimental results. | 孙卫国 Michael A.Morrison | 1999 | Science China Mathematics1999，42，9： | 2 |
| 15 | Infrared Spectroscopic and Theoretical Studies on Cobalt(Ⅱ) Complex of Maleinitriledithiolate and 4, 4′-Dimethyl-2, 2′-bipyridine显示文摘The complete experimental IR spectra and vibrational analysis of the title complex Co(mnt)(dmbpy) were reported in this paper. The results show that the complex molecule has a planar geometry belonging to point group C 2v and ground electronic state with spin quartet. A new method for analyzing vibrational spectra of complicated molecule is established. The essential of this method is to point out main fixed points and pivotal vibrational units in assignment for each fundamental band. Two new symbols η (heaving along the specified direction) and M (midpoint of a bond or unit) were defined for describing the vibrational modes accurately. | Peng Zheng-he, Cai Ping, Fang Chen-jie, Wen Li-li College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, Hubei, China | 2002 | Wuhan University Journal of Natural Sciences2002，7，1： | 1 |
| 16 | Comment to 'Dynamics of supercooled confined water measured by deep inelastic neutron scattering'显示文摘We comment on the findings of 'Dynamics of supercooled confined water measured by deep inelastic neutron scattcring',by V.De Michele,G.Roinanelli,and A.Cupane [Front.Phys.13,138205 (2018)].We show that the current sensitivity of the deep inelastic neutron scattering (DINS) method,cannot detect with confidence small differences in the proton kinetic energy,Ke(H),involved in a liquid-liquid transition in supercooled water confined in nanoporous silica.We also critisize the calculation of Ke(H) carried out in Front.Phys.13,138205 (2018). | Y.Finkelstein R.Moreh | 2019 | Frontiers of physics2019，14，5： | 1 |
| 17 | Adsorption of methane on zeoh'te studied by FT-IR spectroscope | 李灿 李国强 刘中民 辛勤 | 1995 | Progress in Natural Science:Materials International1995，5，2： | 1 |
| 18 | Pea leafminer Liriomyza huidobrensis (Diptera: Agromyzidae) uses vibrational duets for efficient sexual communication显示文摘The pea leafminer (Liriomyza huidobrensis) is a notorious pest of vegetables and ornamental plants worldwide. Despite a large number of studies on its biology and ecology, the courtship behavior and sexual communication of this species remain unclear. Here, we studied vibrational communication in the sexual interaction of the pea leafminer. On host plant leaves, females and males behaviorally displayed the bobbing-quivering alternation, which finally led to copulation. Moreover, records of laser vibrometry revealed threesignal duets underlying the behavioral alternation. Sexually mature males spontaneously emitted calls (MCs) to initiate the duets. The females rapidly responded to MCs by emitting replies (FRs) that are longer in duration. The FRs further triggered male replies (MRs) in their search for potential partners. Leafminer-produced vibrational signals convey efficient information to partners and generate pair formation on stretched substrates, such as plant leaves and nylon mesh, but cannot elicit responses on dense substrates, such as glass and plastic. Vibrational playbacks of both MCs and FRs can elicit replies in females and males, respectively. This study completely characterizes substrate-borne vibrational duets in a dipteran insect. The discovery of vibrational sex signals in the pea leafminer provides new insights for the development of novel approaches to control the pest and its relative species. | Jin Ge Jia-Ning Wei Ding-Jie Zhang Chun Hi De-Zhi Zheng Le Kang | 2019 | Insect Science2019，26，3： | 1 |
| 19 | Research advances of un-symmetric constitutive theory of anisotropic viscoelastic liquids and its hydrodynamic behavior显示文摘Research advances of un-symmetric constitutive equation of anisotropic fluid,influence of un-symmetric stress tensor on material functions,vibrational shear flow of the fluid with small amplitudes and rheology of anisotropic suspension were reported.A new concept of simple anisotropic fluid was introduced.On the basis of anisotropic principle,the simple fluid stress behaviour was described by velocity gradient tensor F and spin tensor W instead of velocity gradient tensor D in the classic Leslie-Ericksen continuum theory.Two relaxation times analyzing rheological nature of the fluid and using tensor analysis a general form of the constitutive equation of co-rotational type was introduced.More general model LCP-H for the fluid was developed.The unsymmetry of the shear stress was predicted by the present continuum theory for anisotropic viscoelastic fluid-LC polymer liquids.The influence of the relaxation times on material functions was specially studied.It is important to study the unsteady vibrational rotating flow with small amplitudes,as it is a best way to obtain knowledge of elasticity of the LC polymer,i.e.dynamic viscoelasticity.For the shear-unsymmetric stresses,two shear stresses were obtained thus two complex viscosities and two complex shear modulus(i.e.first and second one) were introduced by the constitutive equation which was defined by rotating shear rate introduced by author.For the two stability problems of fluid,such as stability of hydrodynamic flow and orientational motion,were discussed.The results show that the polymer suspension systems exhibit anisotropic character.The PNC systems can exhibit significant shear-thinning effects.For more concentrated polymer nano-suspensions,the first normal stress difference change from positive to negative,which is similar to LC polymer behavior. | 韩式方 | 2008 | Journal of Central South University2008，15，S1： | 1 |
| 20 | Calculation of Vibrational Energy Spectra of H_(2)O Molecule by Nonlinear Quantum Theory显示文摘The vibrational energy spectra of OH stretch of H_(2)O in both vapour and liquid phases are calculated by using the quantized discrete self-trapping equation of nonlinear quantum theory.The results obtained are in good agreement with the experiment.Meanwhile,it is noted that the behaviour of the distribution of energy levels of high excited states obtained here is useful in optical spectrum research. | CHEN Xiang-rong GOU Qing-quan PANG Xiao-feng | 1996 | Chinese Physics Letters1996，13，9： | 1 |
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