Erratum: Development of a 'First-Principles' Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

Volodymyr Babin; Claude Leforestier; Francesco Paesani

首页> 外文期刊>Journal of chemical theory and computation: JCTC >Erratum: Development of a 'First-Principles' Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

【24h】

Erratum: Development of a 'First-Principles' Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

机译：勘误：开发具有柔性单体的“第一性原理”水势：二聚体势能面，VRT谱和第二维里系数

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

This erratum involves the replacement of the Supporting Information for the following paper: "Erratum: Development of a First-Principles Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient" (J. Chem. Theory Comput, 2014, 10 (5), 2212-2212, DOI: 10.1021/ct500284p). This is the second erratum regarding the Supporting Information for this paper. The original paper is /. Chem. Theory Comput, 2013, 9 (12), 5395-5403, DOI: 10.1021/ct400863t.

机译：此勘误涉及替换以下论文的支持信息：“勘误：开发具有柔性单体的第一性原理水势：二聚体势能面，VRT谱和第二维里系数”（J. Chem。Theory Comput， 2014，10（5），2212-2212，DOI：10.1021 / ct500284p）。这是有关本文支持信息的第二个错误。原始纸张为/。化学理论计算，2013，9（12），5395-5403，DOI：10.1021 / ct400863t。

著录项

来源
《Journal of chemical theory and computation: JCTC》 |2014年第8期|共1页
作者
Volodymyr Babin; Claude Leforestier; Francesco Paesani;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类化学键的量子力学理论;化学;
关键词

相似文献

外文文献
中文文献
专利

1. Erratum: Development of a "First-Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient [J] . Volodymyr Babin, Claude Leforestier, Francesco Paesani Journal of chemical theory and computation: JCTC . 2014,第8期

机译：勘误：开发具有柔性单体的“第一性原理”水势：二聚体势能面，VRT谱和第二维里系数
2. Development of a 'First Principles' Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient and Small Clusters [J] . Volodymyr Babin, Gregory R. Medders, Francesco Paesani Journal of chemical theory and computation: JCTC . 2014,第4期

机译：利用柔性单体开发“第一原理”水势。 II：三聚体势能面，第三维里系数和小簇
3. The water-oxygen dimer: First-principles calculation of an extrapolated potential energy surface and second virial coefficients [J] . Wheatley RJ, Harvey AH The Journal of Chemical Physics . 2007,第7期

机译：水氧二聚体：外推势能面的第一性原理计算和第二维里系数
4. Application of Low-Pressure PVT Data for Determining Parameters of the Lennard-Jones Potential-Energy Function Based On the Second Virial Coefficients Data [C] . Kiyanoosh Razzaghi, Mohammad Khoshnoodi 40th Annual Loss Prevention Symposium . 2006

机译：二次PV系数数据在低压PVT数据确定伦纳-琼斯势能函数参数中的应用
5. Accurate and Efficient Evaluation of the Second Virial Coefficient Using Practical Intermolecular Potentials for Gases [D] . Hryniewicki, Maciej K. 2011

机译：使用实用的分子间气体势能准确有效地评估第二病毒系数
6. Ab Initio Intermolecular Potential Energy Surfacesand Cross Second Virial Coefficients for the Dimer N2-NO [O] . Pham Van Tat, Tran Thai Hoa 2020

机译：从头算分子间势能面N2-NO和第二二阶维里系数
7. Ab Initio Intermolecular Potential Energy Surfaces and Cross Second Virial Coefficients for the Dimer N2NO [O] . -1

机译：AB Initio分子间潜在能量表面和二聚体N2No的交叉第二病毒系数

Erratum: Development of a 'First-Principles' Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient

摘要

著录项

相似文献

相关主题

期刊订阅