Results 221 to 230 of about 1,877 (249)
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Conformers and Photochemistry of Propyl Nitrites: A Matrix Isolation Study
The Journal of Physical Chemistry A, 2006The infrared spectra of both constitutional isomers (n and i) of propyl nitrite have been recorded in an Ar matrix. Conformational analysis and assignments of the vibrational transitions have been carried out on the basis of quantum chemical calculations.
Edit, Matyus +2 more
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A Euclidean distance matrix model for protein molecular conformation
Journal of Global Optimization, 2019zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Fengzhen Zhai, Qingna Li
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Journal of Colloid and Interface Science, 2004
We synthesized two surfactant-encapsulated polyoxometalate (POM) clusters (SECs), (DODA)(15)[H(3)Mo(57)V(6)(NO)(6)O(189)(H(2)O)(12)(VO)(6)].13H(2)O (SEC-2, DODA: dimethyldioctadecyl ammonium) and (DODA)(12)[Eu(H(2)O)P(5)W(30)O(110)].28H(2)O (SEC-3). SECs were characterized in detail by elemental analysis, UV-Vis absorption spectroscopy, FTIR, 1H NMR ...
Weifeng, Bu, Lixin, Wu, Au-Chin, Tang
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We synthesized two surfactant-encapsulated polyoxometalate (POM) clusters (SECs), (DODA)(15)[H(3)Mo(57)V(6)(NO)(6)O(189)(H(2)O)(12)(VO)(6)].13H(2)O (SEC-2, DODA: dimethyldioctadecyl ammonium) and (DODA)(12)[Eu(H(2)O)P(5)W(30)O(110)].28H(2)O (SEC-3). SECs were characterized in detail by elemental analysis, UV-Vis absorption spectroscopy, FTIR, 1H NMR ...
Weifeng, Bu, Lixin, Wu, Au-Chin, Tang
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Generating Conformational Transitions Using the Euclidean Distance Matrix
IEEE Transactions on NanoBioscience, 2015Elastic network interpolation (ENI) is an efficient method for generating intermediate conformations between two end protein conformations. Its current formulation uses interatomic distance. We show how this can be generalized to interatomic distances-squared.
Xiao-Bo, Li, Forbes, Burkowski
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Simplified B-matrix for polymers in irregular conformation
Journal of Physics C: Solid State Physics, 1974The field of conformational defects in polymers is made accessible to Lifshitz's Green-function method. By introducing local coordinate frames, a fictitious polymer chain is constructed which has the irregular conformation of the real chain but, at the same time, the phonon spectrum of the regular chain, and is described by a dynamical matrix which ...
C Schmid, K Holzl
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Contact matrix method to capture the features of knot conformations
Physical Review EInspired by recent advances in the chromosome capture techniques, a method is proposed to study the structural organization of systems of polymer rings with topological constraints. To this purpose, the system is divided into compartments and a simple condition is provided in order to determine if two compartments are in contact or not.
Neda Abbasi Taklimi +3 more
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Constitutive laws for the matrix-logarithm of the conformation tensor
Journal of Non-Newtonian Fluid Mechanics, 2004zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Fattal, Raanan, Kupferman, Raz
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Matrix isolation and DFT study of the conformations of diethylcarbonate
Journal of Molecular Structure, 2014Abstract Conformations of diethylcarbonate (DEC) were studied using matrix isolation infrared spectroscopy. DEC was trapped in an Ar matrix at 12 K, using both an effusive source maintained at 298 and 423 K and a supersonic jet source. The experimental studies were supported by computations performed at the B3LYP/6-31++G** level of theory. The ground
Bishnu Prasad Kar +3 more
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MATRIX‐CONTROLLED SYNTHESIS AND CONFORMATIONAL STUDIES OF POLYDEPSIPEPTIDES
Journal of Polymer Science: Polymer Symposia, 1978SYNOPSIS Sequential polydepsipeptides (regular, sequence copolymers containing α‐amino and α‐hydroxy acids) have been synthesized as models for the study of polypeptide and protein conformations. Polydepsipeptides of the general formula [(alanyl) m
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