The Experts below are selected from a list of 291 Experts worldwide ranked by ideXlab platform
Valeri I. Kovalenko - One of the best experts on this subject based on the ideXlab platform.
-
DFT study of Raman spectra of hexakis(4-N'(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N'-methyl-diazobenzene)cyclotriphosphazene.
Spectrochimica acta. Part A Molecular and biomolecular spectroscopy, 2014Co-Authors: V.l. Furer, A.e. Vandyukov, S. Fuchs, Jean-pierre Majoral, Anne-marie Caminade, Valeri I. KovalenkoAbstract:The FT-Raman spectrum of the hexakis(4-N′(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N′-methyl-diazobenzene)cyclotriphosphazene which is the first generation dendrimer G1 built from the cyclotriphosphazene core, six arms single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and twelve 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2G1 has been recorded. The structural optimization and normal mode analysis were performed for model compound C, consisting of cyclotriphosphazene core, one arm single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and two 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2 on the basis of the density functional theory (DFT) at the PBE/TZ2P level. The calculated geometrical parameters and harmonic vibrational frequencies are predicted in good agreement with the experimental data. It was found that G1 has a concave lens structure with planar single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side fragments and slightly non-planar cyclotriphosphazene core. The 4-oxyphenethylamino groups attached to different arms show significant deviations from a symmetrical arrangement relative to the local planes of repeating units. The experimental Raman spectra of G1 dendron was interpreted by means of potential energy distribution. Relying on DFT calculations, as well as on experimental information, a spectral interpretation was proposed.
-
DFT study of Raman spectra of hexakis(4-N′(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N′-methyl-diazobenzene)cyclotriphosphazene
Spectrochimica acta. Part A: Molecular spectroscopy, 2014Co-Authors: V.l. Furer, A.e. Vandyukov, S. Fuchs, Jean-pierre Majoral, Anne-marie Caminade, Valeri I. KovalenkoAbstract:The FT-Raman spectrum of the hexakis(4-N′(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N′-methyl-diazobenzene)cyclotriphosphazene which is the first generation dendrimer G1 built from the cyclotriphosphazene core, six arms single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and twelve 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2G1 has been recorded. The structural optimization and normal mode analysis were performed for model compound C, consisting of cyclotriphosphazene core, one arm single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and two 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2 on the basis of the density functional theory (DFT) at the PBE/TZ2P level. The calculated geometrical parameters and harmonic vibrational frequencies are predicted in good agreement with the experimental data. It was found that G1 has a concave lens structure with planar single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side fragments and slightly non-planar cyclotriphosphazene core. The 4-oxyphenethylamino groups attached to different arms show significant deviations from a symmetrical arrangement relative to the local planes of repeating units. The experimental Raman spectra of G1 dendron was interpreted by means of potential energy distribution. Relying on DFT calculations, as well as on experimental information, a spectral interpretation was proposed.
Sitian Qin - One of the best experts on this subject based on the ideXlab platform.
-
ICSI (2) - Training Least-Square SVM by a Recurrent Neural Network Based on Fuzzy c-mean Approach
Lecture Notes in Computer Science, 2013Co-Authors: Fengqiu Liu, Jianmin Wang, Sitian QinAbstract:An algorithm to solve the least square support vector machine (LSSVM) is presented. The underlying optimization problem for LSSVM follows a system of linear equations. The proposed algorithm incorporates a fuzzy c-mean (FCM) clustering approach and the application of a recurrent neural network (RNN) to solve the system of linear equations. First, a reduced training set is obtained by the FCM clustering approach and used to train LSSVM. Then a gradient system with discontinuous Righthand Side, interpreted as an RNN, is designed by using the corresponding system of linear equations. The fusion of FCM clustering approach and RNN overcomes the loss of spareness of LSSVM. The efficiency of the algorithm is empirically shown on a benchmark data set generated from the University of California at Irvine (UCI) machine learning database.
V.l. Furer - One of the best experts on this subject based on the ideXlab platform.
-
DFT study of Raman spectra of hexakis(4-N'(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N'-methyl-diazobenzene)cyclotriphosphazene.
Spectrochimica acta. Part A Molecular and biomolecular spectroscopy, 2014Co-Authors: V.l. Furer, A.e. Vandyukov, S. Fuchs, Jean-pierre Majoral, Anne-marie Caminade, Valeri I. KovalenkoAbstract:The FT-Raman spectrum of the hexakis(4-N′(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N′-methyl-diazobenzene)cyclotriphosphazene which is the first generation dendrimer G1 built from the cyclotriphosphazene core, six arms single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and twelve 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2G1 has been recorded. The structural optimization and normal mode analysis were performed for model compound C, consisting of cyclotriphosphazene core, one arm single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and two 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2 on the basis of the density functional theory (DFT) at the PBE/TZ2P level. The calculated geometrical parameters and harmonic vibrational frequencies are predicted in good agreement with the experimental data. It was found that G1 has a concave lens structure with planar single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side fragments and slightly non-planar cyclotriphosphazene core. The 4-oxyphenethylamino groups attached to different arms show significant deviations from a symmetrical arrangement relative to the local planes of repeating units. The experimental Raman spectra of G1 dendron was interpreted by means of potential energy distribution. Relying on DFT calculations, as well as on experimental information, a spectral interpretation was proposed.
-
DFT study of Raman spectra of hexakis(4-N′(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N′-methyl-diazobenzene)cyclotriphosphazene
Spectrochimica acta. Part A: Molecular spectroscopy, 2014Co-Authors: V.l. Furer, A.e. Vandyukov, S. Fuchs, Jean-pierre Majoral, Anne-marie Caminade, Valeri I. KovalenkoAbstract:The FT-Raman spectrum of the hexakis(4-N′(-di(4-oxyphenethylamino)-(thio)phosphonyl)-N′-methyl-diazobenzene)cyclotriphosphazene which is the first generation dendrimer G1 built from the cyclotriphosphazene core, six arms single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and twelve 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2G1 has been recorded. The structural optimization and normal mode analysis were performed for model compound C, consisting of cyclotriphosphazene core, one arm single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side and two 4-oxyphenethylamino terminal groups single bondOsingle bondC6H4single bond(CH2)2single bondNH2 on the basis of the density functional theory (DFT) at the PBE/TZ2P level. The calculated geometrical parameters and harmonic vibrational frequencies are predicted in good agreement with the experimental data. It was found that G1 has a concave lens structure with planar single bondOsingle bondC6H4single bondCHdouble bond; length as m-dashNsingle bondN(CH3)single bondP(S)2 bonds on the Righthand Side fragments and slightly non-planar cyclotriphosphazene core. The 4-oxyphenethylamino groups attached to different arms show significant deviations from a symmetrical arrangement relative to the local planes of repeating units. The experimental Raman spectra of G1 dendron was interpreted by means of potential energy distribution. Relying on DFT calculations, as well as on experimental information, a spectral interpretation was proposed.
Marianthi G Ierapetritou - One of the best experts on this subject based on the ideXlab platform.
-
uncertainty analysis on the Righthand Side for milp problems
Aiche Journal, 2006Co-Authors: Zhenya Jia, Marianthi G IerapetritouAbstract:A systematic framework is developed to solve the parametric mixed integer linear programming (pMILP) problems where uncertain parameters are present on the Righthand Side (RHS) of the constraints. For the case of multiple uncertain parameters, a new algorithm of multiparametric linear programming (mpLP) is proposed, which solves a number of nonlinear problems (NLP) iteratively. At each iteration, a point at which the objective value cannot be represented by the current optimal functions is found, and the new optimal function is included in the next iteration. Given the range of uncertain parameters in a MILP problem, the output of this proposed framework is a set of optimal integer solutions and their corresponding critical regions and optimal functions. A number of examples are presented to illustrate the applicabilities of the proposed approach and comparison with existing techniques. © 2006 American Institute of Chemical Engineers AIChE J, 52: 2486 –2495, 2006
Fengqiu Liu - One of the best experts on this subject based on the ideXlab platform.
-
ICSI (2) - Training Least-Square SVM by a Recurrent Neural Network Based on Fuzzy c-mean Approach
Lecture Notes in Computer Science, 2013Co-Authors: Fengqiu Liu, Jianmin Wang, Sitian QinAbstract:An algorithm to solve the least square support vector machine (LSSVM) is presented. The underlying optimization problem for LSSVM follows a system of linear equations. The proposed algorithm incorporates a fuzzy c-mean (FCM) clustering approach and the application of a recurrent neural network (RNN) to solve the system of linear equations. First, a reduced training set is obtained by the FCM clustering approach and used to train LSSVM. Then a gradient system with discontinuous Righthand Side, interpreted as an RNN, is designed by using the corresponding system of linear equations. The fusion of FCM clustering approach and RNN overcomes the loss of spareness of LSSVM. The efficiency of the algorithm is empirically shown on a benchmark data set generated from the University of California at Irvine (UCI) machine learning database.
