Elucidation of the active surface and origin of the weak metal–hydrogen bond on Ni/Pt(111) bimetallic surfaces: a surface science and density functional theory study

Hydrogen Bond ◽

Surface Science ◽

Density Functional ◽

Active Surface ◽

Functional Theory ◽

Bimetallic Surfaces

Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20729f ◽

2011 ◽

Vol 13 (33) ◽

pp. 15299 ◽

Cited By ~ 25

Author(s):

Yufang Liu ◽

Yonggang Yang ◽

Kai Jiang ◽

Deheng Shi ◽

Jinfeng Sun

Keyword(s):

Hydrogen Bond ◽

Excited State ◽

Density Functional ◽

Dimethyl Sulfide ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

Effect of Pt addition on resistance to carbon formation of Ni catalysts in methane dehydrogenation over Ni-Pt bimetallic surfaces: A density functional theory study

Molecular Catalysis ◽

10.1016/j.mcat.2017.03.015 ◽

2017 ◽

Vol 434 ◽

pp. 206-218 ◽

Cited By ~ 23

Author(s):

Juntian Niu ◽

Jingyu Ran ◽

Xuesen Du ◽

Wenjie Qi ◽

Peng Zhang ◽

...

Keyword(s):

Density Functional ◽

Carbon Formation ◽

Ni Catalysts ◽

Functional Theory ◽

Bimetallic Surfaces

Insight into the Relationship between Viscosity and Hydrogen Bond of a Series of Imidazolium Ionic Liquids: A Molecular Dynamics and Density Functional Theory Study

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.9b02535 ◽

2019 ◽

Vol 58 (40) ◽

pp. 18848-18854 ◽

Cited By ~ 4

Author(s):

Kun Jiang ◽

Lei Liu ◽

Xiaomin Liu ◽

Xiaochun Zhang ◽

Suojiang Zhang

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ionic Liquids ◽

Density Functional ◽

Functional Theory ◽

Imidazolium Ionic Liquids ◽

The Relationship ◽

Insight Into

Origin of the blue‐shifted hydrogen bond in the vibrational Raman spectra of pyridine–water complexes: A density functional theory study

Journal of Raman Spectroscopy ◽

10.1002/jrs.6205 ◽

2021 ◽

Author(s):

Vinay Sharma ◽

Sebastian Schlücker ◽

Sunil K. Srivastava

Keyword(s):

Hydrogen Bond ◽

Raman Spectra ◽

Density Functional ◽

Functional Theory

Unraveling the structure of hydrogen bond stretching mode infrared absorption bands: An anharmonic density functional theory study on 7-azaindole dimers

The Journal of Chemical Physics ◽

10.1063/1.2759213 ◽

2007 ◽

Vol 127 (5) ◽

pp. 054309 ◽

Cited By ~ 49

Author(s):

Jens Dreyer

Keyword(s):

Hydrogen Bond ◽

Infrared Absorption ◽

Density Functional ◽

Absorption Bands ◽

Functional Theory ◽

Bond Stretching ◽

Infrared Absorption Bands

Matrix Isolation Infrared Spectroscopic and Density Functional Theory Study of the 1:1 Complex of Bromocyclohexane with NH3: Evidence for a Weak C–H–N Hydrogen Bond

Spectroscopy Letters ◽

10.1080/00387010802132409 ◽

2008 ◽

Vol 41 (4) ◽

pp. 179-188 ◽

Cited By ~ 1

Author(s):

Kyle R. Hess ◽

Cindy Samet

Keyword(s):

Hydrogen Bond ◽

Density Functional ◽

Matrix Isolation ◽

Functional Theory ◽

Infrared Spectroscopic

Hydrogen-Bond Acid/Base Catalysis: A Density Functional Theory Study of Protonated Guanine-(Substituted) Cytosine Base Pairs as Models for Nucleophilic Attack on Mitomycin in DNA

Journal of the American Chemical Society ◽

10.1021/ja993145i ◽

2000 ◽

Vol 122 (9) ◽

pp. 2062-2068 ◽

Cited By ~ 36

Author(s):

J. J. Dannenberg ◽

Maria Tomasz

Keyword(s):

Hydrogen Bond ◽

Density Functional ◽

Base Catalysis ◽

Nucleophilic Attack ◽

Acid Base ◽

Base Pairs ◽

Functional Theory

A density functional theory study of the hydrogen bond interactions in glycine dimers

Chemical Physics Letters ◽

10.1016/j.cplett.2007.07.077 ◽

2007 ◽

Vol 445 (4-6) ◽

pp. 117-124 ◽

Cited By ~ 16

Author(s):

Mariana F. de Carvalho ◽

Ricardo A. Mosquera ◽

Roberto Rivelino

Keyword(s):

Hydrogen Bond ◽

Density Functional ◽

Functional Theory ◽

Hydrogen Bond Interactions

Intramolecular Hydrogen Bond Activation of Aza-Methylene Imines in Hydrogen Bond Bifunctional Catalysis - A Density Functional Theory Study

European Journal of Organic Chemistry ◽

10.1002/ejoc.201801208 ◽

2018 ◽

Vol 2019 (2-3) ◽

pp. 574-581 ◽

Cited By ~ 7

Author(s):

Ana Martín-Sómer ◽

Enrique M. Arpa ◽

Sergio Díaz-Tendero ◽

José Alemán

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Density Functional ◽

Bond Activation ◽

Bifunctional Catalysis ◽

Functional Theory ◽

Intramolecular Hydrogen

Density functional theory study on the adsorption and decomposition of CO on Ni- and Pt-Au(111) bimetallic surfaces

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113439 ◽

2021 ◽

pp. 113439

Author(s):

Mei Xue ◽

Jianfeng Jia ◽

Haishun Wu

Keyword(s):

Density Functional ◽

Functional Theory ◽

Bimetallic Surfaces