1. The catalytic reaction of ethanol to ethylene: a dft study
Saowalak Phikulthai, Yuwanda Injongkol , Chularat Wattanakit, Thana Maihom, Nongpanga Jarussophon, Bundet Boekfa and Piti Treesukol

2. Atomistic simulation of structural evolution at long time scales: diffusion of aluminum in nickel at a low concentration limit
Yuranan Hanlumyuang

3. Empirical tight-binding calculation of electronic structure of mn-doped zns nanocrystals
Rutchapon Hunkao, Sujin Suwanna, Worasak Sukkabot

4. Performance of b3pw91, pbe1pbe and opbe functionals in comparison to b3lyp for 13c nmr chemical shift calculations

5. Structure based drug design of 4-aminoquinilone derivatives in dna gyrase b subunit for anti-tuberculosis agents using molecular dynamics simulations
Naruedon Phusi, Chayanin Hanwarinroj, Kampanart Chayajaras, Nitima Suttipanta, Pharit Kamsri, Auradee Punkvang, Khomson Suttisintong, Patchareenart Saparpakorn, Supa Hannongbua, Prasat Kittakoop, James Spencer, Adrian Mulholland and Pornpan Pungpo

6. The influence of silver cluster size and carbon nanotubes on co adsorption: a dft study
Chan Inntam

7. Theoretical study on the structural and spectroscopic properties of cyanine dyes as fluorescent dyes
Malinee Promkatkaew, Patchanee Tiemkeeree, Sakunrat Chansamon, Chanoknun Thakrabao and Songwut Suramitr

8. The effects of stone-wales defect on quantum capacitance in carbon nanotube
Sorasit Buapong and Yuranan Hanlumyuang