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Print ISSN: 0219-6336
Online ISSN: 1793-6888

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HOME > JOURNALS BY SUBJECT > CHEMISTRY > JTCC
Journal of Theoretical and Computational Chemistry (JTCC)
Current Issue | 2011 | 2010 | 2009 | All Volumes (2002-2011)
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A special thank you to each and everyone on the Editorial Board for their contributions to this journal. Your expertise and commitment have made the difference in JTCC's performance for the year. We at World Scientific Publishing Company look forward to your continued support and the journal's success.


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Current Issue
Volume: 10, Issue: 6 (December 2011)
Research Articles
ORDERED MICROPHASES OF SYMMETRIC DIBLOCK COPOLYMER IN SELECTIVE SOLVENT: DISSIPATIVE PARTICLE DYNAMICS SIMULATION AND RADIAL DISTRIBUTION FUNCTION ANALYSIS
HAINAN SUN, BAIQING LI, CHANGQIAO ZHANG, CHUNLING WANG and CHENGBU LIU
DOI No: 10.1142/S0219633611006827
Page: 731-745
     Abstract | Full Text (PDF, 571KB) | References

A THEORETICAL ANALYSIS OF THE DISSOCIATION OF OH RADICAL: FINE-STRUCTURE DISTRIBUTIONS OF THE O(3PJ) PRODUCT
YUANJUN LI and PEI-YU ZHANG
DOI No: 10.1142/S0219633611006803
Page: 747-767
     Abstract | Full Text (PDF, 720KB) | References

HETEROATOM EFFECTS ON THE TRIAFLUAVENE AND HEAVIER ANALOGUES, XC5H4 AND XC5H3 (X = C, Si, Ge, N, P, AND As): DFT CALCULATIONS
ESMAIL VESSALLY, SAMANEH FATEH BASHARZAD, MARYAM MOTALLEBZADEH and LADAN EDJLALI
DOI No: 10.1142/S021963361100675X
Page: 769-788
     Abstract | Full Text (PDF, 805KB) | References

A THEORETICAL STUDY OF CARBON CHAINS OF TYPE CNF (N = 1–7) IN NEUTRAL AND IONIC FORMS
HUI-FEN CHEN and YU-JONG WU
DOI No: 10.1142/S0219633611006815
Page: 789-802
     Abstract | Full Text (PDF, 763KB) | References

DFT STUDY ON CONFORMATIONAL BEHAVIOR OF HYDROGEN ION ABSTRACTIONS OF CYTOSINE NUCLEOSIDES: AIM AND NBO ANALYSIS
ZAHRA ALIAKBAR TEHRANI, ALIREZA FATTAHI, MARJAN JEBELI JAVAN and MOHAMMAD MAHMOODI HASHEMI
DOI No: 10.1142/S0219633611006797
Page: 803-817
     Abstract | Full Text (PDF, 726KB) | References

QUASI-CLASSICAL TRAJECTORY CALCULATION OF THE CHEMICAL REACTION Sr + CF3Br
WENWEN XIA, NING LU, LI YAO, SHANSHUI GAO, KUN YANG and HONG GAO
DOI No: 10.1142/S0219633611006785
Page: 819-828
     Abstract | Full Text (PDF, 183KB) | References

ELECTRON-WITHDRAWING SUBSTITUTED BTD-BASED DERIVATIVE: ELECTRONIC AND OPTICAL PROPERTIES, CHARGE TRANSFER, STABILITY STUDY
BO HU, CHAN YAO and QINGWEI WANG
DOI No: 10.1142/S0219633611006773
Page: 829-838
     Abstract | Full Text (PDF, 340KB) | References

PHYSISORPTION TO CHEMISORPTION TRANSFORMATION OF A H2 MOLECULE ON B-DOPED FULLERENE C59B
CHUANJIN TIAN, WENYAN ZHAO, ZHIGANG WANG and MINGXING JIN
DOI No: 10.1142/S0219633611006840
Page: 839-847
     Abstract | Full Text (PDF, 356KB) | References

AB INITIO STUDY OF SPECTROSCOPIC CONSTANTS AND ANHARMONIC FORCE FIELD OF AsH2 RADICAL
YURONG GUO, MEISHAN WANG, CHUANLU YANG, YUTING SUN and ZILIANG ZHU
DOI No: 10.1142/S0219633611006761
Page: 849-860
     Abstract | Full Text (PDF, 193KB) | References

EFFECTS OF STRUCTURAL MODIFICATION ON THE GROUND STATE OF METALLABENZENES: SINGLET VERSUS TRIPLET STATE
MINGLIAN LIN, PENGFEI LI and ZEXING CAO
DOI No: 10.1142/S0219633611006839
Page: 861-874
     Abstract | Full Text (PDF, 1179KB) | References

AUTHOR INDEX VOLUME 10 (2011)
Page: 875-881
     Abstract | Full Text - Free Access (PDF, 93KB)


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