Journal of Theoretical and Computational Chemistry (JTCC)
|
|
|
|
![]()
Print ISSN: 0219-6336
Online ISSN: 1793-6888 |
|
| Dear
Subscriber,
Journal of
Theoretical and Computational Chemistry (JTCC)
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.
This
international interdisciplinary journal is aimed at providing
comprehensive coverage on the latest developments of research in the
ever-expanding area of theoretical and computational chemistry and
their applications to broad scientific fields spanning physics,
chemistry, biology, materials, and so on.
|
|
|
|
|
|
| FREE
selected articles
|
| Vol. 9, No.
1 (February 2010)
Research
Articles
DFT
STUDY ON SECOND-ORDER NONLINEAR OPTICAL PROPERTIES OF THE DERIVATIVES
OF DISUBSTITUTED SEVEN-VERTEX COBALTACARBORANE METALLOCENYL
XIAODONG LIU, YONGQING QIU, SHILING SUN,
CHUNGUANG LIU and ZHONGMIN SU
THEORETICAL
STUDY ON METHANE HYDROXYLATION BY MIMIC METHANE MONOOXYGENASE WITH
bis(μ-OXO)DIMANGANESE CORE
JIAN XU, HUA-QING YANG, SONG QIN and
CHANG-WEI HU
TORSIONAL
POTENTIALS AND FULL-DIMENSIONAL SIMULATION OF ELECTRONIC ABSORPTION
SPECTRA OF para-PHENYLENEVINYLENE OLIGOMERS USING SEMIEMPIRICAL
HAMILTONIANS
VLADIMÍR LUKES, ROLAND SOLCC, MARIO
BARBATTI, HANS LISCHKA and HARALD-FRIEDRICH KAUFFMANN
DIRECT
AB INITIO DYNAMICS STUDIES ON THE REACTION OF METHANETHIOL WITH
CHLORINE ATOMS
YONG-XIA WANG, XUE-MEI DUAN, QIN WANG, LI
WANG, JING-YAO LIU and CHIA-CHUNG SUN
COMPARATIVE
MOLECULAR FIELD ANALYSIS OF ANTI-TUBULIN AGENTS WITH INDOLE RING
BINDING AT THE COLCHICINE BINDING SITE
I-HUNG LIN, CHENG-CHANG HSU, SHIH-HONG WANG,
HSING-PANG HSIEH and YING-CHIEH SUN
2d
QUANTUM DOTS IN POLYCHROMATIC RADIATION FIELDS: EFFECTS OF FREQUENCY
MIXING, PHASE AND ANHARMONICITY ON THE FREEZING OF DYNAMICS
SUBHASREE GHOSH, PARIKSHIT MANDAL and MANAS
GHOSH
MOLECULAR
DYNAMIC SIMULATIONS OF SOLID NITROMETHANE UNDER HIGH PRESSURES
FENG GUO, HONG ZHANG and XINLU CHENG
STEREODYNAMICS
STUDY OF THE REACTION Cl(2p3/2) + C2D6
(v = 0, j = 0) ¡ú DCl + C2D5
YUFANG LIU, XIAOHU HE, YALI GAO and JINFENG
SUN
CHIRAL
DISCRIMINATION IN HYDROGEN-BONDED COMPLEXES OF 2-METHYLOL OXIRANE WITH
ETHANOL
GUIQIU ZHANG, HONGMEI GAO and DEZHAN CHEN
STUDY
OF ELECTRONIC STRUCTURE AND NEGATIVE ELECTRON AFFINITY OF NANODIAMONDS
PASSIVATED BY CHn SPECIES
ZHENKUI ZHANG and YING DAI
DOCKING
AND MD SIMULATIONS OF THE INTERACTION OF THE POTASSIUM-SPARING DIURETIC
AGENT AMILORIDE WITH THE hASIC1a CHANNEL USING A HOMOLOGY MODEL
FRANCESCO PIETRA
BOREPIN,
BORANORBORNADIENE AND BORANORCARADIENE: SUBSTITUENT EFFECTS ON
INTERCONVERSIONS AT THEORETICAL LEVELS
M. Z. KASSAEE, S. M. MUSAVI and E. MOTAMEDI
|
|
|
Editor-in-Chief
Wei Wu
State Key Laboratory of Physical Chemistry of Solid Surfaces and
Department of Chemistry
Xiamen University
Xiamen, Fujian 361005
P. R. China
Tel: +86 592 218-2825
Fax: +86 592 218-4708
weiwu@xxxxxxxxxx
Associate
Editors
Zexing Cao
State Key Laboratory of Physical Chemistry of Solid Surfaces and
Department of Chemistry
Xiamen University
Xiamen, Fujian 361005
P. R. China
Tel: +86 592 218-6081
Fax: +86 592 218-3047
zxcao@xxxxxxxxxx
Tucker
Carrington, Jr
Chemistry Department
Queen's University
Kingston, Ontario
K7L 3N6
Canada
tucker.carrington@xxxxxxxxxx
Zhenyang Lin
Department of Chemistry
The Hong Kong University of Science and Technology
Clear Water Bay, Kowloon
Hong Kong
Tel: +852 2358-7379
Fax: +852 2358-1594
chzlin@xxxxxx
Peter Saalfrank
Institute for Chemistry
University of Potsdam
Karl-Liebknecht-Strasse 24-25
D-14476 Potsdam
Germany
Tel: +49 331 977-5232
Fax: +49 331 977-5058
peter.saalfrank@xxxxxxxxxxxxxxxxx
|
|
|
|
To unsubscribe,
please click the link found at the bottom of the email, alternatively,
please notify us at mkt@xxxxxxxx
Copyright © 2011 World Scientific
Publishing Co.
All rights reserved.
|
|
|
