Hydrated Alkali-Metal Cations: Infrared Spectroscopy and ab Initio Calculations of M+(H2O)x=2−5Ar cluster ions for M = Li, Na, K, and Cs
DJ Miller, JM Lisy - Journal of the American Chemical Society, 2008 - ACS Publications
A delicate balance between competing and cooperating noncovalent interactions
determines the three-dimensional structure of hydrated alkali-metal ion clusters. With a …
determines the three-dimensional structure of hydrated alkali-metal ion clusters. With a …
Water's hydrogen bond strength
MF Chaplin - Water and Life: The unique properties of H2O, 2007 - api.taylorfrancis.com
Latimer and Rodebush first described hydrogen bonding in 1920. It occurs when an atom of
hydrogen is attracted by strong forces to two atoms instead of only one, as its single valence …
hydrogen is attracted by strong forces to two atoms instead of only one, as its single valence …
Entropic Effects on Hydrated Alkali-Metal Cations: Infrared Spectroscopy and ab Initio Calculations of M+(H2O)x=2−5 Cluster Ions for M = Li, Na, K, and Cs
DJ Miller, JM Lisy - Journal of the American Chemical Society, 2008 - ACS Publications
A delicate balance between competing and cooperating noncovalent interactions
determines the three-dimensional structure of hydrated alkali-metal ion clusters. A critical …
determines the three-dimensional structure of hydrated alkali-metal ion clusters. A critical …
Hydrated Sodium Ion Clusters [Na+(H2O)n (n = 1–6)]: An ab initio Study on Structures and Non-covalent Interaction
Structural, thermodynamic, and vibrational characteristics of water clusters up to six water
molecules incorporating a single sodium ion [Na+ (H2O) n (n= 1–6)] are calculated using a …
molecules incorporating a single sodium ion [Na+ (H2O) n (n= 1–6)] are calculated using a …
[图书][B] Water: molecular structure and properties
XF Pang - 2014 - books.google.com
This book provides a broad and complete introductions to the molecular structure, novel and
anomalous properties, nonlinear excitations, soliton motions, magnetization, and biological …
anomalous properties, nonlinear excitations, soliton motions, magnetization, and biological …
Optimum hydrophilic modification of lanthanum trifluoride nanoparticles and their application in enhancing tribological properties of eco-friendly water-based bonded …
B Li, X Jiang, H Wan, L Chen, Y Ye, H Zhou… - Tribology International, 2018 - Elsevier
In the article, a novel and facile method for hydrophilic modification of nano-lanthanum
trifluoride particles was designed, the experimental results reveal that the surface of the …
trifluoride particles was designed, the experimental results reveal that the surface of the …
Binding of Higher Alcohols onto Mn12 Single-Molecule Magnets (SMMs): Access to the Highest Barrier Mn12 SMM
C Lampropoulos, G Redler, S Data… - Inorganic …, 2010 - ACS Publications
Two new members of the Mn12 family of single-molecule magnets (SMMs),[Mn12O12
(O2CCH2But) 16 (ButOH)(H2O) 3]· 2ButOH (3· 2ButOH) and [Mn12O12 (O2CCH2But) 16 …
(O2CCH2But) 16 (ButOH)(H2O) 3]· 2ButOH (3· 2ButOH) and [Mn12O12 (O2CCH2But) 16 …
Intermolecular charge transfer as evidence for unusual O–H⋯ C (sp3) hydrogen bond
AN Isaev - Computational and Theoretical Chemistry, 2016 - Elsevier
Quantum chemical calculations of the HOH⋯ CH 4 complex, in which water acts as the
proton donor and methane is the acceptor, were performed at different levels of theory. The …
proton donor and methane is the acceptor, were performed at different levels of theory. The …
A quantum chemical study of red-shift and blue-shift hydrogen bonds in bimolecular and trimolecular methylhydrazine-hydrate complexes
BG Oliveira, L Leite - Journal of Molecular Structure: THEOCHEM, 2009 - Elsevier
This study presents a theoretical discussion of the geometry and molecular parameters of
the methylhydrazine-hydrate complex. Using B3LYP/6-311++ G (d, p) calculations, two …
the methylhydrazine-hydrate complex. Using B3LYP/6-311++ G (d, p) calculations, two …
Theoretical investigations on the nature of interactions in ions (Li+, Na+, Be2+, Mg2+)-water clusters in the gas phase
The nature of interaction that is present in ion-water (M (H 2 O) n)(M= L i+, N a+, B e 2+, M g
2+)(n= 1–10) clusters are highlighted in the present work. We have used theories of atoms in …
2+)(n= 1–10) clusters are highlighted in the present work. We have used theories of atoms in …