航空发动机碳氢燃料低污染燃烧反应机理的分子模拟研究

91641128
2016
B0302.化学模拟与应用
刘轶
重大研究计划
教授
上海大学
59万元
反应力场;分子动力学;分子模拟;碳氢燃料;燃烧机理
2017-01-01到2019-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
查看更多信息请先登录或注册
查看更多信息请先登录或注册
查看更多信息请先登录或注册
重置
序号 标题 类型 作者
1 Exceptional ring topology makes diamond allotropes as light-weight superhard materials 期刊论文 Baoqian Chi;Yi Liu;Xiaowu Li;Xuming Qin;Xinluo Zhao
2 Structural and Vibrational Properties of Iodopentafluorobenzene: A Combined Raman and Infrared Spectral and Theoretical Study 期刊论文 Michael H. Palmer;Malgorzata Biczysko;Kirk A. Peterson;Christopher S. Stapleton;Simon P. Wells
3 Theoretical studies of atmospheric molecular complexes interacting with NIR to UV light 期刊论文 Malgorzata Biczysko;Justyna Krupa;Maria Wierzejewska
4 Ultrathin MoS2 nanosheets tightly anchoring onto nitrogen-doped graphene for enhanced lithium storage properties 期刊论文 Saisai Xia;Yirui Wang;Yi Liu;Chenghao Wu;Minghong Wu;Haijiao Zhang
5 Organic Anions Facilitate in Situ Synthesis of Mesoporous LTA Zeolites 期刊论文 Chen Chao;Zhai Dong;Dong Lei;Wang Yanding;Zhang Jian;Liu Yi;Chen Zhuwen;Wang Ya;Qian Wei;Hong Mei
6 Computational challenges in Astrochemistry 期刊论文 Malgorzata Biczysko;Julien Bloino;Cristina Puzzarini
7 Accurate Vibrational−Rotational Parameters and Infrared Intensities of 1‑Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study 期刊论文 Andrea Pietropolli Charmet;Paolo Stoppa;Santi Giorgianni;Julien Bloino;Nicola Tasinato;Ivan Carnimeo;Malgorzata Biczysko;Cristina Puzzarini
8 The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations 期刊论文 Michael H. Palmer;Malgorzata Biczysko;Alberto Baiardi;Marcello Coreno;Monica de Simone;Cesare Grazioli;Søren Vrønning Hoffmann;Nykola C. Jones;Kirk A. Peterson
9 Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 期刊论文 C. Degli Esposti;L. Dore;C. Puzzarini;M. Biczysko;J. Bloino;L. Bizzocchi;V. Lattanzi;J.-U. Grabow
10 Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification 期刊论文 Cristina Puzzarini;Malgorzata Biczysko;Kirk A. Peterson;Joseph S. Francisco;Roberto Linguerri
11 A first-principles evaluation of the stability, accessibility, and strength of Bronsted acid sites in zeolites 期刊论文 Zhai Dong;Liu Yi;Zheng Huimin;Zhao Liang;Gao Jinsen;Xu Chunming;Shen Baojian
12 Interfacial engineering of 0D/2D SnS2 heterostructure onto nitrogen-doped graphene for boosted lithium storage capability 期刊论文 Dongdong Gao;Yirui Wang;Yi Liu;Huiping Sun;Minghong Wu;Haijiao Zhang
13 Origins of Dirac cone formation in AB3 and A3B (A, B = C, Si, and Ge) binary monolayers 期刊论文 Xuming Qin;Yuqin Wu;Yi Liu;Baoqian Chi;Xiaowu Li;Yin Wang;Xinluo Zhao
14 Hydrogen detachment driven by a repulsive 1pr state – an electron localization function study of 3-amino-1,2,4-triazole 期刊论文 Andrzej Bil;Zdzisław Latajka;Malgorzata Biczysko
查看更多信息请先登录或注册

相关项目

趋势报告

经验分享