Results 321 to 330 of about 19,935,117 (378)
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Environmental Science and Technology, 2022
In this study, the previously overlooked effects of contaminants' molecular structure on their degradation efficiencies and dominant reactive oxygen species (ROS) in advanced oxidation processes (AOPs) are investigated with a peroxymonosulfate (PMS ...
Zhi-Hui Xie +8 more
semanticscholar +1 more source
In this study, the previously overlooked effects of contaminants' molecular structure on their degradation efficiencies and dominant reactive oxygen species (ROS) in advanced oxidation processes (AOPs) are investigated with a peroxymonosulfate (PMS ...
Zhi-Hui Xie +8 more
semanticscholar +1 more source
Science, 1972
The molecular configuration of lysergic acid diethylamide (LSD) in crystals of the iodobenzoate has been determined by using x-ray diffraction techniques. The configuration shows strain and steric hindrance and the conformation is fixed. Some of the implications of this for the hallucinogenic activity of LSD are discussed.
R W, Baker +3 more
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The molecular configuration of lysergic acid diethylamide (LSD) in crystals of the iodobenzoate has been determined by using x-ray diffraction techniques. The configuration shows strain and steric hindrance and the conformation is fixed. Some of the implications of this for the hallucinogenic activity of LSD are discussed.
R W, Baker +3 more
openaire +2 more sources
Multiplicative Topological Indices of Molecular Structure in Anticancer Drugs
Polycyclic aromatic compounds (Print), 2020A wide range of new drugs emerge each year with the rapid development of the manufacture of medicines. Once the indicators of these drug molecular structures are calculated in view of defining the topological indices, these can be used to understand ...
Z. Shao, A. Jahanbani, S. Sheikholeslami
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The molecular structure of collagen
Journal of Molecular Biology, 1961This paper describes in detail our work on the structure of collagen which we have already outlined elsewhere ( Rich & Crick, 1955 ). The main substance of the paper is: (1) a demonstration that, given certain assumptions, only two basic types of structures are possible for collagen; (2) detailed work on the coordinates and Fourier ...
A, RICH, F H, CRICK
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The Molecular Structures of Triaminosilanes
Chemische Berichte, 1997AbstractThe structural chemistry of a series of triaminosilanes XSi(NR2)3 has been investigated in order to determine the ground‐state configuration and conformation of these molecules. Theoretical studies and analogy with the isoelectronic XP(NR2)3 (X = CH2, O, Se, NSiMe3 etc.) and P(NR2)3 molecules suggest structures of Cs or C3 symmetry, with small ...
Huber, G +3 more
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Advances in Materials, 2019
Immunogenic cell death (ICD) provides momentous theoretical principle for modern cancer immunotherapy. However, the currently available ICD inducers are still very limited and photosensitizer‐based ones can hardly induce sufficient ICD to achieve ...
Chao Chen +6 more
semanticscholar +1 more source
Immunogenic cell death (ICD) provides momentous theoretical principle for modern cancer immunotherapy. However, the currently available ICD inducers are still very limited and photosensitizer‐based ones can hardly induce sufficient ICD to achieve ...
Chao Chen +6 more
semanticscholar +1 more source
Structure of molecular liquids
Physical Review E, 1995We present a method for calculating, by computer simulation, the direct correlation function c(1,2) for a molecular liquid in the form of a spherical harmonic expansion. This allows us to test, at the most fundamental level, predictions of the structure of molecular liquids using density functional and integral equation approaches.
Allen, MP +3 more
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Molecular Structure of Thiourea
The Journal of Physical Chemistry A, 2012The molecular structure of thiourea has been investigated under C(s), C(2), and C(2v) symmetry constraints. At the coupled-cluster level in conjunction with a triple-ζ basis set, only the C(2) conformer has been found to be a real minimum on the potential energy surface.
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The Virial and Molecular Structure
The Journal of Chemical Physics, 1933The virial theorem can be applied to a molecule, assuming that external forces are applied to keep the nuclei fixed. The mean electronic kinetic energy is then the negative of the mean total internal energy, plus a term arising from the virial of the external force.
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The Molecular Structure of Fibrinogen
Seminars in Thrombosis and Hemostasis, 1974Abstract Seminars in Thrombosis and Hemostasis (STH) celebrates 50 years of publishing in 2024. To celebrate this landmark event, STH is republishing some archival material. This manuscript represents the first full paper ever published in STH.
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