Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

Gabriel  Bramley; Manh-Thuong  Nguyen; Vassiliki-Alexandra  Glezakou; Roger  Rousseau; Chris-Kriton  Skylaris

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Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

机译：校正对隐式溶剂型号的协调工作功能和吸附焓：PT（111）/水界面案例研究

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《Journal of chemical theory and computation: JCTC》 |2020年第7期|共1页
作者
Gabriel Bramley; Manh-Thuong Nguyen; Vassiliki-Alexandra Glezakou; Roger Rousseau; Chris-Kriton Skylaris;
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正文语种 eng
中图分类化学键的量子力学理论;化学;
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1. Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study [J] . Gabriel Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, Journal of chemical theory and computation: JCTC . 2020,第7期

机译：校正对隐式溶剂型号的协调工作功能和吸附焓：PT（111）/水界面案例研究
2. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study [J] . Bramley Gabriel, Manh-Thuong Nguyen, Glezakou Vassiliki-Alexandra, Journal of chemical theory and computation: JCTC . 2020,第4期

机译：用于隐式溶剂模型的调整工作功能和吸附焓：PT（111）/水界面案例研究
3. A Simple Bond-Additivity Model Explains Large Decreases in Heats of Adsorption in Solvents Versus Gas Phase: A Case Study with Phenol on Pt(111) in Water [J] . Singh Nirala, Campbell Charles T. ACS catalysis . 2019,第9期

机译：简单的粘合剂 - 添加剂模型解释了溶剂的吸附热量随气相阶段的大量减少：在水中Pt（111）苯酚的情况研究
4. Protein Adsorption Simulation Using The Generalized Born/ACE Implicit Solvent Model [C] . Y. Sun, F. Wang, R.A. Latour Society for Biomaterials Transactions of the 30th Annual Meeting amp; Exposition vol.28: New Applications and Technologies; 20050427-30; Memphis,TN(US) . 2005

机译：使用广义Born / ACE隐式溶剂模型的蛋白质吸附模拟
5. Computer modeling of adsorption and decomposition pathways of boundary-layer lubricants on clean aluminum(111) surface, and adhesive metal transfer at the aluminum/steel interface: The ab-initio study [D] . Zhong, Jun 2007

机译：清洁铝（111）表面上边界层润滑剂的吸附和分解途径以及铝/钢界面处的粘合剂金属转移的计算机建模：从头算研究
6. OH formation and H2 adsorption at the liquid water–Pt(111) interface [O] . Henrik H. Kristoffersen, Tejs Vegge, Heine Anton Hansen 2018

机译：液态水–Pt（111）界面上的OH形成和H2吸附
7. Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study [O] . Gabriel Bramley, Manh-Thuong Nguyen, Vassiliki-Alexandra Glezakou, 2020

机译：校正对隐式溶剂型号的协调工作功能和吸附焓：PT（111）/水界面案例研究
8. Sum Frequency Generation Vibrational Spectroscopy Studies on Model Peptide Adsorption at the Hydrophobic Solid-Water and Hydrophilic Solid-Water Interfaces [R] . York, R. L. 2007

机译：和谐频率生成振动光谱研究模型肽在疏水固 - 水和亲水固 - 水界面上的吸附

Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

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