Stability Computations for Isomers of La@Cn (n = 72, 74, 76)

by Ludwik Adamowicz, Takeshi Akasaka, Shyi-Long Lee, Filip Uhlík, Zdeněk Slanina, Shigeru Nagase
Published 2012-11-01

Lix@C60: Calculations of the Encapsulation Energetics and Thermodynamics

by Shigeru Nagase, Ludwik Adamowicz, Shyi-Long Lee, Filip Uhlík, Zdeněk Slanina
Published 2008-09-01

Recent Progress of Fullerene Growth Mechanism

by Cheng-Hui Lin, 林政慧
Published 2006

Interaction of Adenine adducts with Thymine using Density Functional Theory method

by Chang-wang Kuo, 郭章王
Published 2006

Computational study for the effect of microsolvation and co-operativity on biomolecules through hydrogen-bond interaction

by Prabhat K. Sahu, 沙福
Published 2006

Computational Study for the Interaction of Serotonin and Fluoxetine

by Chun-Hung Wang, 汪俊宏
Published 2006

The Nonlinear Optical Properties of Linear Formaldehyde Oligomers by Density Functional Theory

by Chin-Kai Chang, 張智凱

Lattice Model Studies of Synchronization between Two Kinetic Oscillatory Catalysts via Thermal Conduction

by Chen-yuch Yang, 楊鎮嶽
Published 2005

Theoretical Studies of Nonlinear Optical Properties on Transition Metal Complexes, M-bpy (M = W, Re, Os) System

by Jin-kai Lin, 林敬凱

Fractal Approaches of Heterogeneity Effects on Adsorption and Catalysis over Solid Surfaces

by Ching-Cher S. Yan, 顏清哲
Published 2005

Solvent Effects on the First Hyperpolarizabilities of Some Organic Chromophores: An Ab Initio Study with Self-Consistent Reaction Field (SCRF) Method

by Yi-Han Yang, 楊逸涵
Published 2000

Theoretical study of Local Electronic Alloy Effects of OOH, OH and O Adsorption on Pt/Ni Cluster

by Guan-Yi Yu, 余冠毅
Published 2010

Theoretical Study of Interactions between Aniline and DNA Bases

by Guan-hong Chen, 陳冠宏
Published 2010

Theoretical Studies of N-Terminal Valine Reaction with Ethylating Agents

by Yen-Bor Lee, 李彥泊
Published 2010

Calculations of Binding Energies using DFT for the HIV-1 Integrase Complexed with the 5CITEP and Analogues

by Wei-fan Yen, 顏韋帆
Published 2010

Theoretical and Computational Study of Growth Mechanism of Fullerene Cage C36(C2v):Ring-stacking Model

by 蕭淑君
Published 2002

Microsolvation of Sarcosine: A DFT Study

by Chih-Hung Lu, 呂志鴻
Published 2014

Theoretical Studies of The Interaction Between CO And Pt/Pt2 Cluster by Using Wave-Function Based Theory And Density Functional Theory

by Uei-Shin Lin, 林為心
Published 2014

Computational studies of kinetic-ring stacking model for the growth of small fullerene cages C2n (n=12 ~ 18)

by Wen-Hsin Lin, 林文信
Published 2004

Computational studies of structural effects on nonlinear optical responses of some π-conjugated molecules

by Lin, Yin-Ting, 林盈廷
Published 1996