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1

Ionization energy reductions in small 2,5-dihydroxybenzoic acid–proline clusters

Gary R. Kinsel, Richard Knochenmuss, Patrick Setz, C. Mark Land, Sor-Koon Goh, Edet F. Archibong, Jon H. Hardesty, Dennis S. Marynick

Journal:

Journal of Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 224 KB

english, 2002

2

Toward linear scaling with fitted exchange–correlation terms in the LCGTO-DF method via a divide-and-conquer approach

Sor Koon Goh, Roger T. Gallant, Alain St-Amant

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 254 KB

english, 1998

3

Ability of fullerenes to act as η6 ligands in transition metal complexes. A comparative PM3(tm)–density functional theory study

Sor-Koon Goh, Dennis S. Marynick

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 113 KB

english, 2001

4

An investigation of the MAM angle in compounds of general formula [MLn]2(μ-A)

Frank Bottomley, Sor-Koon Goh

Journal:

Year:

1996

Language:

english

File:

PDF, 2.00 MB

english, 1996

5

Electronic structure of AlP3 and AlP3−

Edet F Archibong, Sor Koon Goh, Dennis S Marynick

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 92 KB

english, 2002

6

On the structure and electron photodetachment spectra of Ga3P− and Ga3As−

Edet F Archibong, Alain St-Amant, Sor Koon Goh, Dennis S Marynick

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 128 KB

english, 2002

7

Using a fitted electronic density to improve the efficiency of a linear combination of Gaussian-type orbitals calculation

Sor Koon Goh, Alain St-Amant

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 533 KB

english, 1997

8

Improving the efficiency and reliability of the divide-and-conquer approach to constructing the electronic density

Sor Koon Goh, Alain St-Amant

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 732 KB

english, 1997

9

A comparative DFT-MP2 study of the Creutz–Taube ion and related systems

Jon Hardesty, Sor Koon Goh, Dennis S Marynick

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 83 KB

english, 2002

10

A scalable divide-and-conquer algorithm combining coarse and fine-grain parallelization

Sor Koon Goh, Carlos P. Sosa, Alain St-Amant

Journal:

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

Year:

1998

Language:

english

File:

PDF, 221 KB

english, 1998

11

Copper and Silver Complexes Containing Organic Azide Ligands: Syntheses, Structures, and Theoretical Investigation of [HB(3,5-(CF 3 ) 2 Pz) 3 ]CuNNN(1-Ad) and [HB(3,5-(CF 3 ) 2 Pz) 3 ]AgN(1-Ad)NN (Where Pz = Pyrazolyl and 1-Ad = 1-Adamantyl)

Dias, H. V. Rasika, Polach, Sharon A., Goh, Sor-Koon, Archibong, Edet F., Marynick, Dennis S.

Journal:

Inorganic Chemistry

Year:

2000

Language:

english

File:

PDF, 157 KB

english, 2000

12

The Carbonylation Reaction of CH 3 Co(CO) 4 : A Detailed Density Functional Study

Goh, Sor Koon, Marynick, Dennis S.

Journal:

Organometallics

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

13

Structure and Electron Detachment Energies of Al 3 P - and Al 3 P 3-

Archibong, Edet F., St-Amant, Alain, Goh, Sor Koon, Marynick, Dennis

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 77 KB

english, 2002

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