Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Quanli Gu"'
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 145 Issue 5, p051101-1-051101-5, 5p, 1 Diagram, 2 Charts, 1 Graph
Publikováno v:
Physical Chemistry Chemical Physics. 19:14238-14247
The binding strength and collective effects of multiple H-bonds in the glycolic acid-water dimer were studied in comparison to the aromatic analog, 9-hydroxy-9-fluorene carboxylic acid (9HFCA). Quantitative analysis by the generalized Kohn-Sham energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b2383494d7007068afe596d6ae39910
https://doi.org/10.1039/c7cp02234d
https://doi.org/10.1039/c7cp02234d
Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes
Publikováno v:
Physical Chemistry Chemical Physics. 19:24399-24411
Hydrogen (H) bonds are of fundamental importance in a wide range of molecular sciences. While the study of two-center H-bonding A⋯H is well advanced, much remains to be learned in a quantitative and definitive manner for complexes with multiple H-b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0c7abf97ee0d6ec82e60df6748e532a
https://doi.org/10.1039/c7cp03917d
https://doi.org/10.1039/c7cp03917d
Publikováno v:
Physical Chemistry Chemical Physics. 19:25260-25269
The neutral and cationic forms of tryptamine–water dimer present a variety of noncovalent interactions. To characterize these interactions, a series of complementary methods, including the quantum theory of atoms in molecules, noncovalent interacti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e19ffb1a6713be1f3a8e43760551a18
https://doi.org/10.1039/c7cp03491a
https://doi.org/10.1039/c7cp03491a
Publikováno v:
Journal of Chemical Physics; 2015, Vol. 143 Issue 3, p1-10, 10p, 4 Color Photographs, 2 Black and White Photographs, 2 Charts
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(47)
New gas phase infrared spectroscopy is reported for an aromatic alpha hydroxy carboxylic acid homo dimer of 9-hydroxy-9-fluorene carboxylic acid (9HFCA)2, and the hetero dimer of 9HFCA with glycolic acid. In terms of the 9-hydroxy stretching frequenc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f86423b5857fd9f49fcd913dd82e5360
https://pubmed.ncbi.nlm.nih.gov/30307452
https://pubmed.ncbi.nlm.nih.gov/30307452
Autor:
Quanli Gu, Knee, J. L.
Publikováno v:
Journal of Chemical Physics; 2/14/2008, Vol. 128 Issue 6, p064311, 8p, 3 Diagrams, 1 Chart, 6 Graphs
Publikováno v:
The Journal of chemical physics. 145(5)
The ionization potential (IP) of the aromatic alpha hydroxy carboxylic acid, 9-hydroxy-9-fluorene carboxylic acid (9HFCA), is shifted by complexation with hydrogen bonding ligands such as water and formic acid. Generalized Kohn-Sham energy decomposit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5862a007f81070e5078f9017f3c4e2ad
https://pubmed.ncbi.nlm.nih.gov/27497532
https://pubmed.ncbi.nlm.nih.gov/27497532
Autor:
Joseph L. Knee, Quanli Gu
Publikováno v:
The Journal of Physical Chemistry A. 112:6823-6828
Cation vibronic spectra are measured for 1,4-benzodioxan (BZD) and van der Waals complexes of BZD with one and two Ar atoms using zero electron kinetic energy and mass analyzed threshold ionization spectroscopy. The spectra of the monomer cation were
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b213d5ee403fbc70f189662e96fd058
https://doi.org/10.1021/jp801716p
https://doi.org/10.1021/jp801716p
Publikováno v:
The Journal of Physical Chemistry A. 111:1808-1813
The relative energies of several conformations of the tryptophol cation are determined by zero kinetic energy (ZEKE) photoelectron spectroscopy and photoionization efficiency measurements. Recently published high-resolution electronic spectroscopy on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9b7975c9841d7443db346b5d487a6ab
https://doi.org/10.1021/jp067355a
https://doi.org/10.1021/jp067355a