A Density-Matrix-Based Simulated Annealing (SA) Technique for Locating Minimum Energy Structures on the Neutral Polythiophene Potential Energy Surface (English)
- New search for: Nandy, S.
- New search for: Chaudhury, P.
- New search for: Sharma, R.
- New search for: Bhattacharyya, S.P.
- New search for: Nandy, S.
- New search for: Chaudhury, P.
- New search for: Sharma, R.
- New search for: Bhattacharyya, S.P.
In:
JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY
;
7
, 5
;
977-988
;
2008
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ISSN:
- Article (Journal) / Print
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Title:A Density-Matrix-Based Simulated Annealing (SA) Technique for Locating Minimum Energy Structures on the Neutral Polythiophene Potential Energy Surface
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Contributors:Nandy, S. ( author ) / Chaudhury, P. ( author ) / Sharma, R. ( author ) / Bhattacharyya, S.P. ( author )
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Published in:JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY ; 7, 5 ; 977-988
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Publisher:
- New search for: WORLD SCIENTIFIC
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Publication date:2008-01-01
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Size:12 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 541.2
- Further information on Dewey Decimal Classification
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Classification:
DDC: 541.2 -
Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 7, Issue 5
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 911
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COMPUTATIONAL STUDY OF THE DYNAMICS OF PEPTIDE DEFORMYLASE COMPLEX FROM LEPTOSPIRA INTERROGANS: EXPLORING THE CONFORMATIONAL CHANGES OF THE SUBSTRATE POCKETWang, Qiang et al. | 2008
- 923
-
A MOLECULAR MODELING STUDY OF GENERATION-DEPENDENT STABILITY OF DENDRITIC POLYSILANESMu, Ting et al. | 2008
- 933
-
PARTICULAR MECHANISMS ON INSERTION OF ETHYLENE INTO Zr–H BOND OF Cp2ZrH2: A DFT STUDYKong, Xiaojian et al. | 2008
- 943
-
THEORETICAL STUDIES ON BOND DISSOCIATION ENERGIES FOR SOME THIOL COMPOUNDS BY DENSITRY FUNCTIONAL THEORY AND CBS-Q METHODLi, Xiao-Hong et al. | 2008
- 953
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PREDICTION OF THE GLASS TRANSITION TEMPERATURES FOR POLYMERS WITH ARTIFICIAL NEURAL NETWORKYu, Xin-Liang et al. | 2008
- 965
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SOLVENT EFFECT ON ELECTROPHILIC AND RADICAL SUBSTITUTION OF TOLUENE MONONITRATION REACTIONSLiu, Min-Hsien et al. | 2008
- 977
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A DENSITY-MATRIX-BASED SIMULATED ANNEALING (SA) TECHNIQUE FOR LOCATING MINIMUM ENERGY STRUCTURES ON THE NEUTRAL POLYTHIOPHENE POTENTIAL ENERGY SURFACENandy, Subhajit et al. | 2008
- 989
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ESTIMATION OF DISSOLVABILITY OF CHLORIC AND ALKYL BENZENE DERIVATIVES USING QUANTUM CHEMICAL DESCRIPTORS AND PARTIAL LEAST SQUARESTao, Xue-Qin et al. | 2008
- 1001
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STEADY-STATE CYCLE KINETICS OF SINGLE ENZYMES: COMPETING SUBSTRATES AND MULTI-CONFORMATIONSGe, Hao et al. | 2008
- 1029
-
DISTANCE IN ZIGZAG POLYHEX NANOTORUSEliasi, Mehdi et al. | 2008
- 1041
-
DENSITY FUNCTIONAL COMPUTATIONS OF Rh(I)-CATALYZED HYDROACYLATION OF ETHENE OR ETHYNEGao, Jigang et al. | 2008
- 1055
-
AB INITIO AND DFT THEORETICAL INVESTIGATIONS ON NOVEL PORPHYRIN–FULLERENE SUPRAMOLECULAR DYADS FOR PHOTOVOLTAIC DEVICESManna, Tapas et al. | 2008
- 1071
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UNDERSTANDING THE ROLE OF WATER IN PROMOTING E-ISOMER PRODUCTION AND PHOTOCHROMISM OF SOLID SCHIFF BASE: A DFT AND TD-DFT STUDYZhong, Ai-Guo et al. | 2008
- 1085
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UTILIZATION OF GENERALIZED MORSE PARAMETERS FOR CONVENTIONAL MORSE FUNCTIONS USED IN MOLECULAR MECHANICSLim, Teik-Cheng et al. | 2008
- 1093
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AB INITIO POTENTIAL ENERGY SURFACE AND PREDICTED ROVIBRATIONAL SPECTRA FOR THE Kr–N2O COMPLEXChen, Rong et al. | 2008