Electronic Structures and Spectroscopic Characters of Modified Oligo(alkylenedioxypyrrole)

DFT Investigation of Nuclear 14N Quadrupole Coupling Constants for Four HMX Polymorphs

(2010) Liangwei Shi et al.   CHINESE JOURNAL OF CHEMISTRY

DFT Study of N2O Activation with La+, Hf+, Ta+and W+in the Gas Phase

(2010) Jianhui Zhang et al.   CHINESE JOURNAL OF CHEMISTRY

The electronic structures and spectra of conducting pentacene derivatives

(2010) Zheng Zhu et al.   Russian Journal of Physical Chemistry A

Theoretical binding affinities and spectroscopy of complexes formed by cyclobis(paraquat-p-anthrancene) with some pharmaceutical molecules

(2010) Xin Ren et al.   Russian Journal of Physical Chemistry A

Density Functional Theory Study of Hydrogen Bonds of Bipyridine with 1,3,5-Benzenetricarboxylic Acid

(2009) Quan Li et al.   CHINESE JOURNAL OF CHEMISTRY

Theoretical Studies on the Structures, Stabilities, Vibrational Spectra, and Thermodynamic Properties of Polynitromethylbenzenes

(2009) Guixiang Wang et al.   CHINESE JOURNAL OF CHEMISTRY

Theoretical Studies on Electronic Structures and NMR Spectra of Oligo(4-vinylpyridine)

(2009) Hongjian Zhao et al.   CHINESE JOURNAL OF CHEMISTRY

Mechanism for OH-Initiated Oxidation ofn-Octane in the Presence of O2and NO: A DFT Study

(2009) Yan ZHAO et al.   CHINESE JOURNAL OF CHEMISTRY

DFT study on stability and spectroscopy of C84O2 based on C84 (D2)

(2009) Wenqi Zhang et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Structure and Stability of C20H3Radical

(2008) Jie REN et al.   CHINESE JOURNAL OF CHEMISTRY

Theoretical Studies on Thermolysis Mechanism and Stability oftrans-1,4,5,8-Tetranitro-1,4,5,8-tetraazadecalin Isomers

(2008) Ling QIU et al.   CHINESE JOURNAL OF CHEMISTRY

DFT Study on the Effect of Different Peripheral Chains on Charge Transport Properties of Triphenylene Derivatives

(2008) Jun-Rong CHEN et al.   CHINESE JOURNAL OF CHEMISTRY

Molecular Structure, Theoretical Calculation and Thermal Behavior of DAG(NTO)

(2008) Chun-Ran CHANG et al.   CHINESE JOURNAL OF CHEMISTRY

Stabilities and Spectroscopy of Hydrogen Bonding Complexes Formed by 2,4-Bis(acrylamido)pyrimidines

(2008) Ye ZHANG et al.   CHINESE JOURNAL OF CHEMISTRY

Electronic Structures and Spectroscopy of Luminescent para-Phenylenevinylene Oligomers

(2008) Liang DING et al.   CHINESE JOURNAL OF CHEMISTRY

Investigation on stabilities and spectroscopy of C80O2based on C80(D5d) using density functional theory

(2008) Yuqi Ding et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical studies on stabilities and spectroscopy of C84O

(2008) Hui Sun et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical studies on stabilities, 13C and 3He NMR spectroscopy of C84O derived from C84 (D2d)

(2008) Hui Sun et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM