(147b) Understanding Hydrocarbon Reactivity In Zeolites with Molecular Dynamics Simulations

(147b) Understanding Hydrocarbon Reactivity In Zeolites with Molecular Dynamics Simulations

Author(s):

Publication title:

2011 AIChE annual meeting, October 16-21, Minneapolis Convention Center, Minneapolis, MN : conference proceedings : Non-topical conferences

Title of ser.:

AIChE Conference Proceedings

Ser. no.:

P-267

Pub. Year:

2011

Pt.:

Catalysis & Reaction Engineering Division

Pub. info.:

New York: American Institute of Chemical Engineers

ISBN:

9780816910700 [0816910707]

Language:

English

Call no.:

A08000/2011 [CD-ROM]

Type:

Conference Proceedings

Details

TDL ID:	ZA00061222
Series ID:	PA00000008
Conf. info. (Name):	AIChE annual meeting ; Particle Technology Forum ; North American Mixing Forum ; Computational Molecular Science and Engineering Forum ; Nanoscale Science and Engineering Forum ; Sustainable Engineering Forum ; Chemical Engineering & the Law Forum
Conf. info. (Number):	2011
Conf. info. (Venue):	Minneapolis, MN, USA
Conf. info. (Date):	2011.10.16-2011.10.21
Note for article:	[Html document] 2011 AIChE annual meeting, Minneapolis Convention Center, Minneapolis, MN, October 16-21, 2011. Catalysis and Reaction Engineering Division (Paper225009)

Similar Items:

1 Conference Proceedings (147b) Understanding Hydrocarbon Reactivity In Zeolites with Molecular Dynamics Simulations Paul M. Zimmerman, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers	7 Conference Proceedings (324f) Theoretical Studies of Alkene Isomerization and Dimerization in Zeolites Joseph S. Gomes, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers
2 Conference Proceedings (217c) Computational Methods for Exploring Reaction Paths in Catalytic Processes Martin Head-Gordon, Paul M. Zimmerman, Joseph S. Gomes, Shaama Mallikarjun Sharada, Alexis T. Bell American Institute of Chemical Engineers	8 Conference Proceedings (600e) Reaction Dynamics of Alkene Methylation in H-MFI Joseph S. Gomes, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers
3 Conference Proceedings (551f) Efficient Location of Transition State Structures Via the Freezing String Method Paul M. Zimmerman, Andrew Behn, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers	9 Conference Proceedings (289b) Application of DFT-D and QM/MM Methods in Zeolite-Catalyzed Reactions Joseph S. Gomes, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers
4 Conference Proceedings (217c) Computational Methods for Exploring Reaction Paths in Catalytic Processes Martin Head-Gordon, Paul M. Zimmerman, Joseph S. Gomes, Shaama Mallikarjun Sharada, Alexis T. Bell American Institute of Chemical Engineers	10 Conference Proceedings (285e) Multiple Exciton Generation In Organic Materials Through Singlet Fission: a Theoretical Perspective Paul M. Zimmerman, Franziska Bell, Martin Head-Gordon American Institute of Chemical Engineers
5 Conference Proceedings (324f) Theoretical Studies of Alkene Isomerization and Dimerization in Zeolites Joseph S. Gomes, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers	11 Conference Proceedings (307a) Quantum Chemical Methods for the Simulation of Reactions of Organic Molecules in Zeolites Alexis T. Bell American Institute of Chemical Engineers
6 Conference Proceedings (324f) Theoretical Studies of Alkene Isomerization and Dimerization in Zeolites Joseph S. Gomes, Martin Head-Gordon, Alexis T. Bell American Institute of Chemical Engineers	12 Conference Proceedings (152f) First-Principles Simulation of the Effects of Intrinsic Kinetics, Adsorption, and Diffusion On the Observed Rates of Reaction Occurring in Zeolites Alexis Bell American Institute of Chemical Engineers

1

2

3

4

5

6

7

8

9

10

11

12