Exploration of structure, potential energy surface, and stability of planar C3B3

Journal of Molecular Modeling

Volumn 16, Issue 5, 2010, Pages 939-950

  Shao, Jingling ^a   Shi, Rongwei ^a   Wang, Cheng ^a   Zhu, Xiaolei ^a   Lu, Xiaohua ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

C3B3; Density functional theory; Isomerization; Potential energy surface; Stability

Indexed keywords

BORON; CARBON; TRANSITION ELEMENT;

ARTICLE; BORON CARBON CLUSTER; C3B3; CHEMICAL BINDING; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIPOLE; ENERGY YIELD; GENE CLUSTER; INFRARED RADIATION; ISOMER; ISOMERIZATION; MOLECULAR STABILITY; PRIORITY JOURNAL; STRUCTURE ANALYSIS; VIBRATION; ISOMERISM; PHYSICAL PHENOMENA; RISK; THERMODYNAMICS;

ISOMERISM; PHYSICAL PROCESSES; RISK; THERMODYNAMICS;

EID: 77953940313     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0604-0     Document Type: Article

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