云南高校图书馆联盟文献共享服务平台- HYDROGEN

HYDROGEN_BONDING: 作品数：261被引量：243H指数：6; 导出分析报告; 相关作者：吴志坚卿彬菊叶秀深李喆熊肖更多>>; 相关机构：华东理工大学中国科学院中国科学院研究生院华侨大学更多>>; 相关期刊：更多>>; 相关基金：国家自然科学基金国家重点基础研究发展计划国家教育部博士点基金河北省自然科学基金更多>>

Concerted versus stepwise mechanisms of cyclic proton transfer:Experiments, simulations, and current challenges: 《Chinese Physics B》2023年第1期36-50,共15页程奕涵朱禹丞李新征方为; Project supported by the National Basic Research Programs of China (Grant No.2021YFA1400503);the National Natural Science Foundation of China (Grant No.11934003);the Beijing Natural Science Foundation (Grant No.Z200004);the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No.XDB33010400)。; Proton transfer(PT) is a process of fundamental importance in hydrogen(H)-bonded systems. At cryogenic or moderate temperatures, pronounced quantum tunneling may happen due to the light mass of H. Single PT processes ...; 关键词：quantum tunneling proton transfer hydrogen bonding

Rules essential for water molecular undercoordination: 《Chinese Physics B》2020年第8期33-47,共15页Chang Q Sun; the National Natural Science Foundation of China(Grant No.21875024).; A sequential of concepts developed in the last decade has enabled a resolution to multiple anomalies of water ice and its low-dimensionality,particularly.Developed concepts include the coupled hydrogen bond(O:H–O)osc...; 关键词：hydrogen bonding molecular crystals structural transitions in nanoscale materials liquid-liquid transitions

Interface states study of intrinsic amorphous silicon for crystalline silicon surface passivation in HIT solar cell: 《Chinese Physics B》2017年第4期489-493,共5页肖友鹏魏秀琴周浪; Project supported by the National Natural Science Foundation of China(Grant Nos.51361022 and 61574072);the Postdoctoral Science Foundation of Jiangxi Province,China(Grant No.2015KY12); Intrinsic hydrogenated amorphous silicon（a-Si：H） film is deposited on n-type crystalline silicon（c-Si） wafer by hotwire chemical vapor deposition（HWCVD） to analyze the amorphous/crystalline heterointerface pass...; 关键词：amorphous silicon MICROSTRUCTURE hydrogen bonding configurations interface state density

Role of hydrogen bonding in solubility of poly(N-isopropylacrylamide) brushes in sodium halide solutions被引量：1: 《Chinese Physics B》2016年第7期277-285,共9页赵新军高志福; Project supported by the National Natural Science Foundation of China(Grant Nos.21264016,11464047,and 21364016);the Joint Funds of Xinjiang Natural Science Foundation,China(Grant No.2015211C298); By employing molecular theory, we systematically investigate the shift of solubility of poly（N-isopropylacrylamide）（PNIPAM） brushes in sodium halide solutions. After considering PNIPAM–water hydrogen bonds, water...; 关键词：molecular theory PNIPAM brushes anion effect hydrogen bonds

A theoretical investigation on anomalous switching of single-stranded deoxyribonucleic acid(ssDNA) monolayers by water vapor被引量：2: 《Chinese Physics B》2015年第4期262-268,共7页赵新军高志福蒋中英; Project supported by the National Natural Science Foundation of China(Grant Nos.21264016,11464047,and 21364016);the National Basic Research Program of China(Grant No.2012CB821500);the Natural Science Foundation of Xinjiang Uygur Autonomous Region,China(Grant No.2013211A053); In this paper, we use a molecular theory to study the anomalous switching of ssDNA monolayers. Here, both ssDNA- water and water-water hydrogen bonds and their explicit coupling to the ssDNA conformations are consider...; 关键词：molecular theory ssDNA monolayers anomalous switching hydrogen bonding

New observations on hydrogen bonding in ice by density functional theory simulations被引量：1: 《Chinese Physics B》2014年第2期375-378,共4页张鹏刘扬于惠韩圣浩吕英波吕茂水丛伟艳; Project supported by the National Natural Science Foundation of China (Grant No.11075094); In this paper, we report on a series of computational simulations on hydrogen bonding in two ice phases （Ih and Ic） using CASTEP with PW91 and RPBE exchange-correlation based on ab initio density functional theory. ...; 关键词：density functional theory ICE hydrogen bonding LO-TO splitting

Investigation of hydrogen bonding in neat dimethyl sulfoxide and binary mixture(dimethyl sulfoxide + water) by concentration-dependent Raman study and ab initio calculation被引量：2: 《Chinese Physics B》2010年第12期154-160,共7页欧阳顺利吴楠楠刘靖尧孙成林里佐威高淑琴; Project supported by the National Natural Science Foundation of China (Grant Nos. 10774057 and 10974067);the Graduate Innovation Fund of Jilin University; In this study, our vibrational spectroscopic analysis is made on hydrogen-bonding between dimethyl sulfoxide and water comprises both experimental Raman spectra and ab initio calculations on structures of various dime...; 关键词：HYDROGEN-BONDING Raman spectroscopy ab initio calculations dimethl sulphoxide

Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules: 《Chinese Physics B》2010年第10期230-235,共6页王传奎张珍丁明翠李小静孙元红赵珂; Project supported by the National Basic Research Program of China (Grant No. 2006CB806000);the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics);the National Natural Science Foundation of China (Grant No. 10974121); Aggregation effect caused by the intermolecular hydrogen-bonding interactions on two-photon absorption prop- erties of （E）-4-（2-nitrovinyl） benzenamine molecules is studied at a hybrid density functional level. Th...; 关键词：two-photon absorption aggregate effect hydrogen bonding organic molecule

Investigation of inter-molecular hydrogen bonding in the binary mixture (acetone+water) by concentration dependent Raman study and ab initio calculations被引量：2: 《Chinese Physics B》2010年第9期313-318,共6页欧阳顺利吴楠楠孙成林刘靖尧里佐威高淑琴; supported by National Natural Science Foundation of China (Grant Nos.10774057 and 10974067); This paper reports that vibrational spectroscopic analysis on hYdrogen-bonding between acetone and water comprises both experimental Raman spectra and ab initio calculations on structures of various acetone/water comp...; 关键词：Raman spectra intermolecular hydrogen bond ab initio caluculations

Solvent effects on structure and optical properties of a D-π-A azobenzene dye: 《Chinese Physics B》2007年第11期3323-3327,共5页王传奎邢晓娟黄晓明高云; Project supported by the National Natural Science Foundation of China （Grant No 10674084）.; Time-dependent hybrid density functional theory in combination with Onsager reaction field model and super-molecular model has been applied to study solvent effects on the geometrical and electronic structures, as wel...; 关键词：solvent effects response theory hydrogen bonding two-photon absorption

HYDROGEN_BONDING