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Journal of Molecular Structure, ISSN 0022-2860, 2007, Volume 827, Issue 1, pp. 101 - 107
4-Piperidinecarboxylic acid hydrochloride, 4PCAH·Cl, has been characterized by single crystal X-ray diffraction, B3LYP/6-31G(d,p) calculations, and FTIR... 
CHEMISTRY, PHYSICAL | ZWITTERION | WATER-MOLECULES | SPECTRA | MONOHYDRATE | Structure | Crystals
Journal Article
Solar Energy Materials and Solar Cells, ISSN 0927-0248, 11/2019, Volume 202, p. 110126
Perovskite solar cells have great development prospects due to their high photoelectric conversion efficiency and low cost. However, perovskite materials are... 
Density functional theory | Water molecules | Adsorption | Perovskite solar cells
Journal Article
International journal of refrigeration, ISSN 0140-7007, 09/2017, Volume 81, pp. 60 - 68
Micromachined Joule–Thomson (JT) coolers are of interest for cooling small electronic devices. The long-term performance of JT microcoolers is limited by the... 
Clogging | Joule–Thomson | Microcooler | Water molecules | Deposition
Journal Article
Applied Physics Letters, ISSN 0003-6951, 04/2018, Volume 112, Issue 17, p. 171603
Hydrated graphite oxide samples containing different concentrations of functional groups were investigated with a range of experimental techniques including... 
GRAPHENE OXIDE | TRANSPORT | PHYSICS, APPLIED | CONDUCTIVITY | WATER-MOLECULES | SILICA | NAFION
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 05/2016, Volume 120, Issue 17, pp. 9165 - 9173
The interfacial region of aqueous systems also known as the electrical double layer can be characterized on the molecular level with second harmonic and... 
LIQUID INTERFACES | PARTICLES | CHARGED INTERFACE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | IONS | NANOSCIENCE & NANOTECHNOLOGY | RELEVANT | ORIENTATION | SURFACE | VIBRATIONAL SPECTROSCOPY | WATER-MOLECULES | RAYLEIGH-SCATTERING
Journal Article
NATURE, ISSN 0028-0836, 06/1998, Volume 393, Issue 6686, pp. 671 - 673
Chemical self-assembly is the process by which 'programmed' molecular subunits spontaneously form complex supramolecular frameworks(1,2). This approach has... 
PROTEIN | MULTIDISCIPLINARY SCIENCES | RESOLUTION | WATER-MOLECULES
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2012, Volume 8, Issue 9, pp. 2997 - 3002
In this work, we critically assess the ability of the all-atom enhanced sampling method accelerated molecular dynamics (aMD) to investigate conformational... 
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | WATER-MOLECULES | PANCREATIC TRYPSIN-INHIBITOR | SIMULATION | PROTEINS | EXCHANGE | BPTI | INFREQUENT EVENTS | RELAXATION DISPERSION
Journal Article
Coordination Chemistry Reviews, ISSN 0010-8545, 12/2014, Volume 281, pp. 26 - 49
This review outlines recent advances in the design of 3d-, 4f-, and 3d–4f type magnetic molecules for use as excellent cryogenic magnetic coolants based on the... 
synthetic strategy | Lanthanide | Magnetic coolant | Magnetocaloric material | d-Block metal | Magnetocaloric effect | D-Block metal | Synthetic strategy | SPIN-CROSSOVER | POLYMERS | GROUND-STATE | METAL-ORGANIC FRAMEWORK | REFRIGERANTS | LOW-TEMPERATURE | CHEMISTRY, INORGANIC & NUCLEAR | COOLERS | WATER-MOLECULES | GD | CLUSTERS LN
Journal Article
Journal of Molecular Liquids, ISSN 0167-7322, 11/2019, Volume 294, p. 111608
In this study, the kinetics of hydrate formation in ethylene-water and ethylene-THF-water systems with or without SDS and SLES was investigated and analyzed.... 
Gas hydrate | Kinetics | Water molecules | Surfactant | Energy saving | Ethylene
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 02/2012, Volume 33, Issue 5, pp. 517 - 526
A popular method for predicting pK(a) values for organic molecules in aqueous solution is to establish empirical linear least-squares fits between calculated... 
prediction | explicit water molecules | empirical slope | COSMO | density functional theory
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 11/2012, Volume 41, Issue 22, pp. 7497 - 7536
This critical review surveys the 3d substituted magnetic polyoxotungstate (POT) molecular compounds reported these last ten years, illustrating the huge... 
COORDINATED WATER-MOLECULES | TRANSITION-METAL CLUSTERS | WELLS-DAWSON HETEROPOLYTUNGSTATES | CRYSTAL-STRUCTURE | HYDROTHERMAL CONDITIONS | ONE-DIMENSIONAL CHAIN | MAGNETIC-PROPERTIES | X-RAY CHARACTERIZATION | CU-II | CHEMISTRY, MULTIDISCIPLINARY | FERROMAGNETIC EXCHANGE INTERACTIONS
Journal Article
Meitan Xuebao/Journal of the China Coal Society, ISSN 0253-9993, 12/2017, Volume 42, pp. 505 - 511
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 08/2013, Volume 135, Issue 34, pp. 12697 - 12706
We report on the design and synthesis of two-photon fluorescent triphenylamines bearing two or three vinyl branches terminated by a N-methyl benzimidazolium... 
CROSS-SECTIONS | QUADRUPLEX | EXCITATION | DYES | FLUOROPHORES | DNA | WATER-MOLECULES | PHOTOPHYSICAL PROPERTIES | MICROSCOPY | CHEMISTRY, MULTIDISCIPLINARY | ABSORPTION PROPERTIES
Journal Article
Chemistry of Materials, ISSN 0897-4756, 11/2018, Volume 30, Issue 21, pp. 7593 - 7602
Owing to their inherent pore structure, porous metal organic frameworks (MOFs) can undergo postsynthetic modification, such as loading extra-framework proton... 
MATERIALS SCIENCE, MULTIDISCIPLINARY | SORPTION | SITES | CHEMISTRY, PHYSICAL | WATER-MOLECULES | DIFFUSION | COORDINATION POLYMERS | MATERIALS SCIENCE
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/2012, Volume 134, Issue 12, pp. 5472 - 5475
We controlled the hydrophilicity of metal-organic frameworks (MOFs) to achieve high proton conductivity and high adsorption of water under low humidity... 
OXALATE | HYDROGEN | COMPLEX | POROUS COORDINATION POLYMERS | CRYSTAL-STRUCTURE | ELECTRICAL-CONDUCTIVITY | WATER-MOLECULES | MAGNETIC-PROPERTIES | MMX-CHAIN | SELECTIVE SORPTION | CHEMISTRY, MULTIDISCIPLINARY | Measurement | Electrical conductivity | Adsorption | Analysis | Organometallic compounds | Hydrophobicity | Chemical properties | Charge transfer | Electric properties
Journal Article
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 04/2015, Volume 137, Issue 15, pp. 4960 - 4963
Eu-II-containing materials have unique luminescence, redox, and magnetic properties that have potential applications in optoelectronics, sensors, and imaging.... 
NUMBER | DECAY | CONTRAST AGENTS | QUANTUM YIELD | NANOCRYSTALS | IONS | HIGHLY LUMINESCENT | WATER-MOLECULES | DIVALENT EUROPIUM COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY
Journal Article