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Vibrational Spectroscopy of Protonated Imidazole and its Complexes with Water Molecules: Ab Initio Anharmonic Calculations and Experiments

机译：质子化咪唑的振动光谱及其与水分子的复合物：AB Initio Anharmonic计算和实验

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1. Vibrational Spectroscopy of Protonated Imidazole and its Complexes with Water Molecules:Ab Initio Anharmonic Calculations and Experiments [J] . Adeyemi A.Adesokan, Galina M.Chaban, Otto Dopfer The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第31期

机译：质子化咪唑及其与水分子配合物的振动光谱：从头算非谐计算和实验
2. IDENTIFYING 2- AND 3-COORDINATED H2O IN PROTONATED ION WATER CLUSTERS BY VIBRATIONAL PRE-DISSOCIATION SPECTROSCOPY AND AB INITIO CALCULATIONS [J] . Wang YS., Cheng CL., Lin SH., The Journal of Chemical Physics . 1997,第22期

机译：通过振动预离解光谱和从头算计算识别质子化离子水簇中的2和3配位的H2O
3. Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)(n) (n=3, 4) and mixed hydrogen fluoride/water (HF)(n)(H2O)(n) (n=1, 2, 4) clusters [J] . Chaban GM., Gerber RB. Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 2002,第4期

机译：氟化氢（HF）（n）（n = 3、4）和氟化氢/水混合（HF）（n）（H2O）（n）（n = 1、2、4）的非谐振动光谱的从头计算集群
4. Ab Initio and improved empirical potentials for the calculation of the anharmonic vibrational states and intramolecular mode coupling of N-methylacetamide [C] . Susan K. Gregurick, Galina M. Chaban, R. Benny Gerber 2001 International Conference on Computational Nanoscience ICCN 2001, Mar 19-21, 2001, South Carolina, U.S.A. . 2001

机译：从头算和改进的经验潜力，用于计算N-甲基乙酰胺的非谐振动态和分子内模式耦合
5. Vibrational spectrum, ab initio calculations, conformational stabilities and assignment of fundamentals of small flexible molecules. [D] . LaPlante, Arthur James. 2010

机译：振动光谱，从头算起，构象稳定性和柔性小分子的基本特征分配。
6. Toward Elimination of Discrepancies between Theoryand Experiment: Anharmonic Rotational–Vibrational Spectrumof Water in Solid Noble Gas Matrices [O] . DennisF. Dinu, Maren Podewitz, Hinrich Grothe, -1

机译：努力消除理论之间的差异和实验：非谐旋转振动光谱固体惰性气体基质中的水
7. Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Microsolvated Biomolecules [O] . -1

机译：AB Initio Anharmonic计算的双基方法振动光谱分析：应用于微溶剂化生物分子的应用
8. Ab Initio Calculations of Anharmonic Vibrational Spectroscopy for Hydrogen Fluoride (HF)n (n=3,4) and Mixed Hydrogen Fluoride/Water (HF)n(H20)n (n=1,2,4) Clusters [R] . Chaban, Galina M., Gerber, R. Benny 2001

机译：氟化氢（HF）n（n = 3,4）和混合氟化氢/水（HF）n（H2O）n（n = 1,2,4）团簇的非谐振动光谱的ab initio计算

Vibrational Spectroscopy of Protonated Imidazole and its Complexes with Water Molecules: Ab Initio Anharmonic Calculations and Experiments

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