Dodi Heryadi: search on Z-Library

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1

Tuning the crystal morphology and size of zeolitic imidazolate framework-8 in aqueous solution by surfactants

Pan, Yichang, Heryadi, Dodi, Zhou, Feng, Zhao, Lan, Lestari, Gabriella, Su, Haibin, Lai, Zhiping

Journal:

Year:

2011

Language:

english

File:

PDF, 335 KB

english, 2011

2

Comparison of perturbative and multiconfigurational electron propagator methods

V. G. Zakrzewski, J. V. Ortiz, Jeffrey A. Nichols, Dodi Heryadi, Danny L. Yeager, Joseph T. Golab

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 564 KB

english, 1996

3

Balanced complete active space choices with the multiconfigurational spin tensor electron propagator method: The vertical ionization potentials of NH2

Alexander J. McKellar, Dodi Heryadi, Danny L. Yeager

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 267 KB

english, 1998

4

ChemInform Abstract: Copper-Mediated C—H Activation/C—S Cross-Coupling of Heterocycles with Thiols.

Sadananda Ranjit, Richmond Lee, Dodi Heryadi, Chao Shen, Ji'En Wu, Pengfei Zhang, Kuo-Wei Huang, Xiaogang Liu

Journal:

Year:

2012

File:

PDF, 37 KB

2012

5

The direct determination of the ionization potentials of CH and CH3 using the electron propagator method with a multiconfigurational second-order perturbation theory wavefunction as the initial state (EPCASPT2)

Dodi Heryadi, S Mahalakshmi, Danny L Yeager

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

6

Complete basis set limit ionization potentials of O3 and NO2 using the multiconfigurational spin tensor electron propagator method (MCSTEP)

Alexander J. McKellar, Dodi Heryadi, Danny L. Yeager, Jeffrey A. Nichols

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 94 KB

english, 1998

7

Formation dynamics of FeN thin films on Cu(100)

Dodi Heryadi, Udo Schwingenschlögl

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 1.19 MB

english, 2012

8

Copper-Mediated C–H Activation/C–S Cross-Coupling of Heterocycles with Thiols

Ranjit, Sadananda, Lee, Richmond, Heryadi, Dodi, Shen, Chao, Wu, Ji’En, Zhang, Pengfei, Huang, Kuo-Wei, Liu, Xiaogang

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 2.43 MB

english, 2011

9

Electronic and Magnetic Properties of Infinite 1D Chains of Paddlewheel Carboxylates M 2 (COOR) 4 (M = Mo, W, Ru, Rh, Ir, Cu)

Peskov, Maxim V., Miao, Xiao-He, Heryadi, Dodi, Eppinger, Jörg, Schwingenschlögl, Udo

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.90 MB

english, 2013

10

Electroreduction Activity of Hydrogen Peroxide on Pt and Au Electrodes

Li, Xiao, Heryadi, Dodi, Gewirth, Andrew A.

Journal:

Year:

2005

Language:

english

File:

PDF, 364 KB

english, 2005

11

The multiconfigurational spin tensor electron propagator method (MCSTEP): Comparison with extended Koopmans' theorem results

Dodi Heryadi, Danny L. Yeager, Joseph T. Golab…

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1995

Language:

english

File:

PDF, 1.04 MB

english, 1995

12

Multiconfigurational spin tensor electron propagator vertical ionization potentials for O2: Comparison to some other forefront methods using the same basis sets and geometries

Heryadi, Dodi, Yeager, Danny L., Golab, Joseph T., Nichols, Jeffrey A.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 275 KB

english, 1995

13

Ionization potentials of CH2: A comparison of the multiconfigurational spin tensor electron propagator method with benchmark full configuration interaction and large scale multireference configuration interaction calculations

Nichols, Jeffrey A., Heryadi, Dodi, Yeager, Danny L., Golab, Joseph T.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 758 KB

english, 1994

14

A small optimal complete active space (CAS) for multiconfigurational spin tensor electron propagator method (MCSTEP) ionization potentials: Application to methane, acetylene, ethylene, and ethane

Heryadi, Dodi, Jones, Christopher T., Yeager, Danny L.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 328 KB

english, 1997

15

Resolving the controversy over the second ionization potential of the nitrate free radical NO[sub 3]

Heryadi, Dodi, Yeager, Danny L.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 309 KB

english, 2000

16

Electron propagator method with a multiconfigurational second-order perturbation theory wave function as the initial state in the fermion operator block

Heryadi, Dodi, Yeager, Danny L.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 356 KB

english, 2001

17

Structural Properties of Iron Nitride on Cu(100): an Ab-initio Molecular Dynamics study

Heryadi, Dodi, Schwingenschlögl, Udo

Journal:

MRS Proceedings

Year:

2011

Language:

english

File:

PDF, 678 KB

english, 2011

18

[ACM Press the Practice and Experience in Advanced Research Computing - Chicago, IL, USA (2019.07.28-2019.08.01)] Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (learning) - PEARC '19 - Characterizing Performance Improvement of GPUs

Heryadi, Dodi, Hampton, Scott

Year:

2019

Language:

english

File:

PDF, 825 KB

english, 2019