Reply to “Comment on ‘Natural Bond Orbitals and the Nature of the Hydrogen Bond’”

Anthony J. Stone; Krzysztof Szalewicz

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Reply to “Comment on ‘Natural Bond Orbitals and the Nature of the Hydrogen Bond’”

机译：回复“评论”自然债券轨道和氢键的性质“

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2018年第2期|共4页
作者
Anthony J. Stone; Krzysztof Szalewicz;
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作者单位

University Chemical Laboratory University of Cambridge Lensfield Road Cambridge CB2 1EW U.K.;

Department of Physics and Astronomy University of Delaware Newark Delaware 19716 United States;

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原文格式 PDF
正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Reply to “Comment on ‘Natural Bond Orbitals and the Nature of the Hydrogen Bond’” [J] . Anthony J. Stone, Krzysztof Szalewicz The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2018,第2期

机译：回复“评论”自然债券轨道和氢键的性质“
2. Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study [J] . Shirazi Reza Ghafarian, Neese Frank, Pantazis Dimitrios A., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2019,第24期

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3. On the Nature of the Agostic Bond between Metal Centers and beta-Hydrogen Atoms in Alkyl Complexes. An Analysis Based on the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme (ETS-NOCV) [J] . Mitoraj MP, Michalak A, Ziegler T Organometallics . 2009,第13期

机译：烷基络合物中金属中心与β-氢原子之间的键合性质。基于扩展过渡态方法和化学价方案的自然轨道的分析（ETS-NOCV）
4. Dynamics and bonding of bond-centered hydrogen in amorphous hydrogenated Si: vibrational and optical signatures [C] . Shkrebtii A.I., Ibrahim Z. A., Kupchak I.M., 35th IEEE Photovoltaic Specialists Conference . 2010

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5. Molecular orbital, generalized valence bond, and complete active space calculations on transition metal compounds with agostic hydrogen and bridging carbonyls: New basis sets, geometry of trichloromethyltitanium, and bonding of bis(cyclopentadienyldicarbonylchromium). [D] . Williamson, Rodney Lowell. 1989

机译：含氢和桥联羰基的过渡金属化合物的分子轨道，广义价键和完整的活性空间计算：新的基集，三氯甲基钛的几何形状和双（环戊二烯基二羰基铬）的键合。
6. Hydrogen Bonding Interactions of m-Chlorotoluene with 1-AlkanolAnalyzed by Thermodynamic Fourier Transform Infrared SpectroscopyDensity Functional Theory and Natural Bond Orbital [O] . Sreenivasulu Karlapudi, Cheera Prasad, Lukman O. Olasunkanmi, 2018

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7. Reply to “Comment on ‘Natural Bond Orbitals and the Nature of the Hydrogen Bond’” [O] . Anthony J. Stone, Krzysztof Szalewicz 2018

机译：回复“评论”自然债券轨道和氢键的性质“

Reply to “Comment on ‘Natural Bond Orbitals and the Nature of the Hydrogen Bond’”

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