Glycine Peptide Bond Formation Catalyzed by Faujasite

Density Functional Theory for Reaction Energies: Test of Meta and Hybrid Meta Functionals, Range-Separated Functionals, and Other High-Performance Functionals

(2011) Yan Zhao et al.   Journal of Chemical Theory and Computation

Oxidative Dehydrogenation of Propane over a VO2-Exchanged MCM-22 Zeolite: A DFT Study

(2010) Sippakorn Wannakao et al.   CHEMPHYSCHEM

Adsorption and Tautomerization Reaction of Acetone on Acidic Zeolites: The Confinement Effect in Different Types of Zeolites

(2010) Bundet Boekfa et al.   Journal of Physical Chemistry C

Functional Nucleic Acid Sensors

(2009) Juewen Liu et al.   CHEMICAL REVIEWS

Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic β Zeolite: ONIOM Study with an M06-L Functional

(2009) Chawanwit Kumsapaya et al.   Journal of Physical Chemistry C

Reaction Mechanisms of the Methylation of Ethene with Methanol and Dimethyl Ether over H-ZSM-5: An ONIOM Study

(2009) T. Maihom et al.   Journal of Physical Chemistry C

Ionic-Complementary Peptide Matrix for Enzyme Immobilization and Biomolecular Sensing

(2009) Hong Yang et al.   LANGMUIR

Effects of the Zeolite Framework on the Adsorptions and Hydrogen-Exchange Reactions of Unsaturated Aliphatic, Aromatic, and Heterocyclic Compounds in ZSM-5 Zeolite: A Combination of Perturbation Theory (MP2) and a Newly Developed Density Functional Theory (M06-2X) in ONIOM Scheme

(2009) Bundet Boekfa et al.   LANGMUIR

Self-Assembling Sequence-Adaptive Peptide Nucleic Acids

(2009) Yasuyuki Ura et al.   SCIENCE

Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2008) Yan Zhao et al.   Journal of Chemical Theory and Computation

Interactions of amino acids with H-ZSM-5 zeolite: An embedded ONIOM study

(2008) Bundet Boekfa et al.   JOURNAL OF MOLECULAR STRUCTURE

Theoretical Study on Structures and Reaction Mechanisms of Ethylene Oxide Hydration over H-ZSM-5: Ethylene Glycol Formation

(2008) Thana Maihom et al.   Journal of Physical Chemistry C

Benchmark Data for Interactions in Zeolite Model Complexes and Their Use for Assessment and Validation of Electronic Structure Methods

(2008) Yan Zhao et al.   Journal of Physical Chemistry C

How do bacterial cells ensure that metalloproteins get the correct metal?

(2008) Kevin J. Waldron et al.   NATURE REVIEWS MICROBIOLOGY