Relativistic and Vibrational Effects on the Electronic Structure of Isopropyl Iodide
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Y. Zhang | X. Shan | Xiangjun Chen | S. Niu | Yaguo Tang | Zhaohui Liu | Minfu Zhao
[1] X. Shan,et al. Electron Momentum Spectroscopy Study on the Valence Electronic Structure of Dimethyl Sulfide Considering Vibrational Effects. , 2020, The journal of physical chemistry. A.
[2] X. Shan,et al. Electron-momentum-spectroscopy study on the valence electronic structure of methyl iodide: Electron correlation and relativistic effects , 2019, Physical Review A.
[3] X. Shan,et al. Experimental and theoretical study of the valence electronic structure of propane by electron momentum spectroscopy , 2018, Journal of Electron Spectroscopy and Related Phenomena.
[4] X. Shan,et al. Relativistic and distorted wave effects on Xe 4d electron momentum distributions , 2017 .
[5] N. Watanabe,et al. Electron Momentum Spectroscopy Investigation of Molecular Conformations of Ethanol Considering Vibrational Effects. , 2017, The journal of physical chemistry. A.
[6] N. Watanabe,et al. Vibrational Effects on Electron Momentum Distributions of Outer-Valence Orbitals of Oxetane. , 2016, The journal of physical chemistry. A.
[7] M. Deleuze,et al. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state. , 2015, The Journal of chemical physics.
[8] M. Deleuze,et al. Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: an analytical versus a molecular dynamical approach. , 2015, The Journal of chemical physics.
[9] X. Shan,et al. Ring-puckering effects on electron momentum distributions of valence orbitals of oxetane. , 2014, The journal of physical chemistry. A.
[10] Hongjiang Yang,et al. Electron Momentum Spectroscopy of Valence Orbitals of n-Propyl Iodide: Spin-Orbit Coupling Effect and Intramolecular Orbital Interaction , 2014 .
[11] M. Deleuze,et al. Photoelectron and electron momentum spectroscopy of tetrahydrofuran from a molecular dynamical perspective. , 2013, The journal of physical chemistry. A.
[12] N. Watanabe,et al. Vibrational effects on valence electron momentum distributions of ethylene. , 2012, The Journal of chemical physics.
[13] N. Watanabe,et al. Vibrational effects on valence electron momentum distributions of CH2F2. , 2012, The Journal of chemical physics.
[14] J. Zhu,et al. High-resolution electron-momentum spectroscopy of the valence orbitals of the iodine molecule , 2012 .
[15] C. Ning,et al. Vibrational effects on the electron momentum distributions of valence orbitals of formamide. , 2012, The Journal of chemical physics.
[16] Qiguo Tian,et al. A high-sensitivity angle and energy dipersive multichannel electron momentum spectrometer with 2π angle range. , 2011, The Review of scientific instruments.
[17] C. Ning,et al. An experimental and theoretical study of the HOMO of W(CO)6: Vibrational effects on the electron momentum density distribution , 2010 .
[18] C. Ning,et al. Combining relativistic quantum-chemistry theories and electron-momentum spectroscopy to study valence-electron structures of molecules , 2009 .
[19] X. Shan,et al. Experimental observation of relativistic effects on electronic wavefunction for iodine lone-pair orbital of CF3I , 2008 .
[20] B. Shepler,et al. On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions. , 2006, The journal of physical chemistry. A.
[21] Shuaining Zhang,et al. (e,2e) study on distorted-wave and relativistic effects in the inner-shell ionization processes of xenon 4d~5~/~2 and 4d~3~/~2 (4 pages) , 2006 .
[22] F. Matthias Bickelhaupt,et al. Chemistry with ADF , 2001, J. Comput. Chem..
[23] M. Deleuze,et al. Probing molecular conformations with electron momentum spectroscopy: the case of n-butane. , 2001, Journal of the American Chemical Society.
[24] M. Matsuo,et al. An electron momentum spectroscopy study on through-space and through-bond interactions in 1,4-diazabicyclo[2.2.2]octane , 1999 .
[25] Hiroshi Nakatsuji,et al. Energy gradient method for the ground, excited, ionized, and electron-attached states calculated by the SAC (symmetry-adapted cluster)/SAC–CI (configuration interaction) method , 1999 .
[26] J. G. Snijders,et al. Towards an order-N DFT method , 1998 .
[27] P. Duffy. Calculation of electron momentum distributions using density functional theory , 1996 .
[28] C. E. Brion,et al. Imaging the Electron Density in the Highest Occupied Molecular Orbital of Glycine , 1995, Science.
[29] Casida. Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlüter equation for the exact exchange-correlation potential. , 1995, Physical review. A, Atomic, molecular, and optical physics.
[30] Evert Jan Baerends,et al. Relativistic total energy using regular approximations , 1994 .
[31] A. Yencha,et al. Threshold photoelectron spectroscopy of I2 , 1994 .
[32] M. Brunger,et al. An electron momentum spectroscopy investigation of the 4d core states of xenon , 1994 .
[33] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[34] C. E. Brion,et al. Assessment of Gaussian-weighted angular resolution functions in the comparison of quantum-mechanically calculated electron momentum distributions with experiment , 1992 .
[35] Ian E. McCarthy,et al. Electron momentum spectroscopy of atoms and molecules , 1991 .
[36] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[37] C. E. Brion. Looking at orbitals in the laboratory: The experimental investigation of molecular wavefunctions and binding energies by electron momentum spectroscopy , 1986 .
[38] J. Mitroy,et al. Direct observations of relativistic effects in single-electron momentum distributions in xenon outer shells , 1984 .
[39] K. Hirao,et al. Cluster expansion of the wave function. Electron correlations in the ground state, valence and Rydberg excited states, ionized states, and electron attached states of formaldehyde by SAC and SAC–CI theories , 1981 .
[40] R. Dromey,et al. Photoelectron spectroscopic correlation of the molecular orbitals of the alkanes and alkyl iodides , 1974 .
[41] D. Salahub,et al. The High Resolution Photoelectron Spectra of Some Iodoalkanes, Iodocycloalkanes, Iodoalkenes, and Fluoroiodohydrocarbons , 1974 .
[42] N. L. Owen,et al. Rotational and vibrational spectra of 2-fluoropropane , 1973 .
[43] 刘昆,et al. Interpretation of the Experimental Electron Momentum Spectra of 5e1/2 and 5e3/2 Orbitals of CF3I with Relativistic Calculations , 2010 .
[44] Cook,et al. Electron momentum spectroscopy of xenon: A detailed analysis. , 1986, Physical review. A, General physics.