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MULTIMODE calculations of the infrared spectra of H7+ and D7 + using ab initio potential energy and dipole moment surfaces

机译：使用从头算势能和偶极矩表面对H7 +和D7 +的红外光谱进行MULTIMODE计算

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7 págs.; Series Title: Highlights in Theoretical Chemistry, 10; Dedicated to Professor Thom Dunning and published as part of the special collection of articles celebrating his career upon his retirement.

机译：7帕。系列标题：《理论化学重点》，第10期；献给Thom Dunning教授，并作为特别文章集的一部分发表，以庆祝他退休后的职业生涯。

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Qu Chen; Prosmiti Rita; Bowman Joel M.;
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年度 2016
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1. MULTIMODE calculations of the infrared spectra of H7~+ and D7~+ using ab initio potential energy and dipole moment surfaces [J] . Chen Qu, Rita Prosmiti, Joel M. Bowman Theoretical chemistry accounts . 2013,第12期

机译：使用从头算势能和偶极矩表面对H7〜+和D7〜+的红外光谱进行MULTIMODE计算
2. Ab initio potential and dipole moment surfaces for water. II. Local-monomer calculations of the infrared spectra of water clusters [J] . Wang Y., Bowman J.M. The Journal of Chemical Physics . 2011,第15期

机译：水的从头算势和偶极矩表面。二。水团团红外光谱的局部单体计算
3. Variational calculations of vibrational energies and IR spectra of trans -and cis-HOCO using new ab initio potential energy and dipole moment surfaces [J] . Wang Y., Carter S., Bowman J.M. The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2013,第39期

机译：使用新的从头算势能和偶极矩表面反式和顺式-HOCO的振动能和红外光谱的变分计算
4. AB INITIO CALCULATIONS OF VIBRATIONAL ENERGY LEVELS AND TRANSITION DIPOLE MOMENTS OF CO_2 MOLECULES [C] . Zhi Liang, Hai-Lung Tsai IMECE2008;ASME international mechanical engineering congress and exposition . 2009

机译：从头算计算CO_2分子的振动能级和跃迁偶极矩
5. CYCLOTRIBORAZANE: ENTHALPY OF SUBLIMATION, DIPOLE MOMENT, DIPOLE-DIPOLE INTERACTION ENERGY, INFRARED AND RAMAN SPECTRA, AND PROBABLE FREQUENCY ASSIGNMENT. [D] . LEAVERS, DONALD RICHARD. 1971

机译：环硼硼烷：增感，偶极矩，偶极-偶极相互作用能，红外和拉曼光谱以及可能的频率分配等。
6. High-accuracy water potential energy surface for the calculation of infrared spectra [O] . Irina I. Mizus, Aleksandra A. Kyuberis, Nikolai F. Zobov, -1

机译：高精度水势能面用于红外光谱的计算
7. Ab initio potential energy surface, electric dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of 14NH3 [O] . Yurchenko Sergei N., Thiel Walter, Carvajal Zaera Miguel, 2008

机译：14NH3电子基态的从头能势面，电偶极矩，极化张量和理论振动光谱
8. Highly Accurate Potential Energy Surface, Dipole Moment Surface, Rovibrational Energy Levels, and Infrared Line List for (32)S(16)O2 up to 8000 cm(exp -1). [R] . Huang, X., Schwenke, D. W., Lee, T. J. 2014

机译：高精度势能面，偶极矩表面，振动能量水平和（32）s（16）O2的红外线列表，最高可达8000 cm（exp -1）。

MULTIMODE calculations of the infrared spectra of H7+ and D7 + using ab initio potential energy and dipole moment surfaces

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