Search Results

• Elastic and Optical Properties of $CeO_2$ via First-Principles Calculations

  Li-Li Sun, Yan Cheng & Guang-Fu Ji

  2010-01-01

  28453 3399 Pages:143-151

• First-Principles Study on the Structural and Electronic Properties of Double $N$ Atoms Doped-Rutile $TiO_2$

  Zhong-Liang Zeng, Guang Zheng, Xi-Cheng Wang, Kai-Hua He, Qi-Li Chen, Li Yu, Qing-Bo Wang

  2010-01-01

  28123 2484 Pages:177-184

• First-Principles Calculations of Thermodynamic Properties of Superhard Orthorhombic $\beta-BC_2N$

  J. Chang, Y. Cheng & M. Fu

  2010-01-01

  25272 2665 Pages:243-252

• The Coulomb Attraction in Hydrogen May Not Be of Long Range

  Cheng-Gang Gu

  2010-01-01

  27551 2701 Pages:325-336

• Inverse Halogen Bonds Intermolecular Interactions

  Yan-Zhi Liu, Su-Rui Zhao, Xiao-Ning Dong, Kun Yuan, Hui-An Tang, Guo-Fang Zuo, Yuan-Cheng Zhu, Xin-Wen Liu

  2011-02-01

  26064 2500 Pages:234-240

• Thermodynamic Properties of $Zr_2Al$ Under High Pressure from First-Principles Calculations

  X. L. Yuan, D. Q. Wei, Y. Cheng, Q. M. Zhang, Z. Z. Gong

  2021-02-23

  27192 2955 Pages:160-170

• Dissipative Dynamics of Quantum and Classical Correlations for Two-Qubit Under Two-Side and One-Side Decoherence

  Xiu-Feng Li, Mao-Fa Fang, Cheng-Zhi Wang, Li-Zhen Hou

  2021-02-23

  26801 3117 Pages:177-186

• Energy Deposition of Intense Femtosecond Laser Pulses in Ar Clusters

  Tong-Cheng Wu, Xi-Jun Qiu

  2013-04-01

  28168 2802 Pages:245-250

• Structural Stability and Electronic Structure of N- or C-Monodoped $TiO_2$ from First-Principles Calculations

  Chao-Hua Ma, Xin-Guo Ma, Cheng-Guo Li & Ling Miao

  2018-08-15

  27596 3663 Pages:78-86

• Elastic Properties and Phonon Dispersion of bcc Vanadium under Pressure from First Principles

  L.-Q. Zhang, Y. Cheng, Z.-W. Niu

  2014-05-01

  27533 3328 Pages:81-94

• CASPT2 Study on the Low-Lying Electronic States of $m$-$C_6H_4F^+_2$ Ion

  Shu-Yuan Yu, Cheng-Gen Zhang

  2014-05-01

  28064 2390 Pages:171-177

• The Theoretical Research on the Chiral Transition of Ibuprofen Molecules under Isolated Conditions

  Zuo-Cheng Wang, Feng-Ge Liu, Li-Ping Wang, Hua Tong, Tian-Rong Yu, Li-Rong Dong

  2021-02-23

  28495 2937 Pages:289-300

• The Non-Adiabatic Stereodynamics Study for the Reaction of $Na(3s)+H_2→NaH (X^1Σ^+)+H$

  Dahai Cheng, Jiuchuang Yuan, Maodu Chen

  2016-07-01

  27844 2578 Pages:77-86

• Quasiclassical Trajectory Study of the Stereodynamics for the Au + H2 (v=0, j=0) → AuH + H Reaction

  Guanygan Sha, Dahai Cheng, Changgong Meng

  2016-07-01

  27992 2693 Pages:87-95

• Dynamics of Bipartite Vibrational Entanglement under the Inherent Decoherence Process in $H_2O$

  Yuanyuan Cheng, Liangjun Zhai

  2016-07-01

  27532 2564 Pages:213-224

• Comparison of Gaussian and Square Laser Pulses on Molecular Orientation

  Jingsong Liu, Qiyuan Cheng, Daguang Yue, Xucong Zhou, Qing-Tian Meng

  2018-07-10

  27884 2695 Pages:113-116

• Theoretical Elaboration about Excited State Behaviors and Fluoride Anion Sensor Mechanism for 2-{[2-(2-Hydroxy-Phenyl)-1H-Benzoimidazo-5-yl]-Phenyl-Methylene} Malononitrile

  Jia Li, Xiaodong Li, Shibo Cheng, Peng Song & Jinfeng Zhao

  2018-10-04

  30592 3450 Pages:1-6

• A New Global Search for the Ground State Structure of Small Cluster: Application to S6

  Ming-Bang Lv, Yan Cheng, Yi Zhao, Min Fu

  2013-04-01

  27961 2780 Pages:357-366