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Delano Chong

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Research and Teaching Interests

Although I officially retired in January 2002, I have remained active in research. 

The objective of our research continues to be: to encourage stronger collaboration and interplay between experiment and theory.  For our part on the theoretical side, our aim is to extend the frontiers of quantum chemical computations. 

My recent interests have been directed mostly to application of density functional theory to electron spectroscopy, especially to photoelectron spectra of both valence and core electrons of organic and other small molecules in the gas phase. 

Contact

Real name: 
Delano Chong
Email: 
Office Room Number(s): 
Chemistry D125
Office Phone Number: 
604-822-5754
Fax Number: 
604-822-2847

Curriculum Vitae

B. S., Berkeley (1958); A.M., Harvard (G.B. Kistiakowsky, 1959); Ph.D., Harvard (G.B. Kistiakowsky, 1963); Postdoctoral, Oxford (J.W. Linnett, 1963-64) and Wisconsin (W. Byers Brown, 1964-65)

Publications

2023

Sa’adeh, H. ; Prince, K. C. ; Richter, R. ; Vasilyev, V. ; Chong, D. P. ; Wang, F. A Photoelectron Spectroscopic Investigation Of Aspirin, Paracetamol And Ibuprofen In The Gas Phase. Phys. Chem. Chem. Phys. 2023, 25, 10946–10955.

2022

Chong, D. P. ; Wang, F. Dehydrogenation Of Ammonia Borane Impacts Valence And Core Electrons: A Photoemission Spectroscopic Study. ACS Omega 2022, 7, 35924–35932.

2021

Chong, D. P. Computational Study Of The Electron Spectra Of Vapor-Phase Indole And Four Azaindoles. Molecules 2021, 26, 1947.

2020

Chong, D. P. Calculation Of Reliable Non-Resonant Kα X-Ray Emission Spectra Of Organic Molecules And Other Small Molecules. Canadian Journal of Chemistry 2020, 98, 741-745.

2019

Chong, D. P. Computational Study Of The Structures And Photoelectron Spectra Of Gas-Phase Nitrosamines: Dimethylnitrosamine, N-Nitrosopyrrolidine And 1-Nitrosoaziridine. Journal of Electron Spectroscopy and Related Phenomena 2019, 232, 35 - 39.
Chong, D. P. Computational Study Of The Structures And Photoelectron Spectra Of 12 Azabenzenes. Canadian Journal of Chemistry 2019, 97, 697-703.

2018

Chong, D. P. Mp2 Or B3Lyp: Computed Bond Distances Compared With Ccsd(T)/cc-Pvqz. Canadian Journal of Chemistry 2018, 96, 336-339.
Chong, D. P. Computational Study Of Polarizability Anisotropies. Canadian Journal of Chemistry 2018, 96, 934-938.

2017

Chong, D. P. Computational Study Of The Electron Spectra Of Acetamide And N-Methylformamide. Croatica Chemica Acta 2017, 90, 99–105.
Chong, D. P. Computational Study Of The Anticancer Drug Cisplatin. Canadian Journal of Chemistry 2017, 95, 95–104.

2016

Chong, D. P. Theoretical Study Of Structures And Spectra Of Small Anticancer Drugs: Fluorouracil, Hydroxyurea, And Tirapazamine. Journal of the Chinese Chemical Society 2016, 63, 109–120.

2014

Novak, I. ; Klasinc, L. ; Šket, B. ; Chong, D. P. ; McGlynn, S. P. Uv Photoelectron Spectroscopy And Outer Valence Electronic Structure Of Dihalobenzenes. Croatica Chemica Acta 2014, 87, 495–499.

2013

Chong, D. P. Theoreticl Study Of Uric Acid And Its Ions. J. Theor. Comput. Sci. 2013, 1.
Novak, I. ; Klasinc, L. ; Chong, D. P. ; McGlynn, S. P. Photoelectron Spectroscopy Of Non-Steroidal Anti-Inflammatory Drugs. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 2013, 112, 110-115.
Chong, D. P. Density Functional Theory Study Of Allopurinol. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 2013, 91, 637-641.
Chong, D. P. Density Functional Theory Study Of The Photoelectron Spectra Of 5-Methyltetrazole. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 2013, 12, 1250096.

2012

Takahata, Y. ; Chong, D. P. Dft Calculation Of Core- And Valence-Shell Electron Excitation And Ionization Energies Of 2,1,3-Benzothiadiazole C6H4Sn2, 1,3,2,4-Benzodithiadiazine C6H4S2N2, And 1,3,5,2,4-Benzotrithiadiazepine C6H4S3N2. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 2012, 185, 475-485.

2011

Chong, D. P. Density Functional Theory Study Of The Vertical Ionization Energies Of The Valence And Core Electrons Of Cyclopentadiene, Pyrrole, Furan, And Thiophene. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 2011, 89, 1477-1488.
Chong, D. P. Density Functional Theory Study Of The Electron Spectra Of Formamide Vapor. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 2011, 184, 164-169.

2010

Segala, M. ; Chong, D. P. K-Shell Core-Electron Binding Energies For Phosphorus- And Sulfur-Containing Molecules Calculated By Density Functional Theory. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 2010, 182, 141-144.
Chong, D. P. Density Functional Theory Study On The Electron Spectra Of Naphthalene And Azulene Vapours. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 2010, 88, 787-796.
Chong, D. P. Theoretical Study Of The Electron Spectra Of S-Triazine Vapour (Vol 87, Pg 1148, 2009). CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 2010, 88, 577.
Chong, D. P. Density Functional Theory Study On The Electron Spectra Of 1,4-Benzoquinone Vapour. MOLECULAR PHYSICS 2010, 108, 2459-2466.

2009

Chong, D. P. Theoretical Study Of The Electronic Spectra Of S-Triazine Vapour. Canadian Journal of Chemistry-Revue Canadienne De Chimie 2009, 87, 1148-1153.
Segala, M. ; Chong, D. P. An Evaluation Of Exchange-Correlation Functionals For The Calculations Of The Ionization Energies For Atoms And Molecules. Journal of Electron Spectroscopy and Related Phenomena 2009, 171, 18-23.

2008

Saha, S. ; Wang, F. ; MacNaughton, J. B. ; Moewes, A. ; Chong, D. P. The Attachment Of Amino Fragment To Purine: Inner-Shell Structures And Spectra. Journal of Synchrotron Radiation 2008, 15, 151-157.
Chong, D. P. ; Segala, M. ; Takahata, Y. ; Baerends, E. J. Density Functional Theory Calculation Of 2P Spectra Of Sih4, Ph3, H2S, Hcl, And Ar. International Journal of Quantum Chemistry 2008, 108, 1358-1368.
Chong, D. P. Density Functional Study Of Double Ionization Energies. Journal of Chemical Physics 2008, 128.
Takahata, Y. ; Wulfman, C. E. ; Chong, D. P. Accurate Calculation Of N1S And C1S Core Electron Binding Energies Of Substituted Pyridines. Correlation With Basicity And With Hammett Substituent Constants. Journal of Molecular Structure-Theochem 2008, 863, 33-38.

2007

Chong, D. P. Density Functional Theory Calculation Of K-Shell Excitation Of Nitrous Oxide. Chemical Physics Letters 2007, 441, 209-212.
Chong, D. P. Localized And Delocalized Is Core-Holes In Dft Calculations. Journal of Electron Spectroscopy and Related Phenomena 2007, 159, 94-96.

2006

Takahata, Y. ; Okamoto, A. K. ; Chong, D. P. Dft Calculation Of Core-Electron Binding Energies Of Pyrimidine And Purine Bases. International Journal of Quantum Chemistry 2006, 106, 2581-2586.
Segala, M. ; Takahata, Y. ; Chong, D. P. Density Functional Theory Calculation Of 2P Core-Electron Binding Energies Of Si, P, S, Cl, And Ar In Gas-Phase Molecules. Journal of Electron Spectroscopy and Related Phenomena 2006, 151, 9-13.
Chong, D. P. ; Takahata, Y. Density Functional Theory Calculation Of Electron Spectra Of Formaldehyde. Chemical Physics Letters 2006, 418, 286-291.
Segala, M. ; Takahata, Y. ; Chong, D. P. Geometry, Solvent, And Polar Effects On The Relationship Between Calculated Core-Electron Binding Energy Shifts (Delta Cebe) And Hammett Substituent (Sigma) Constants. Journal of Molecular Structure-Theochem 2006, 758, 61-69.
Falzon, C. T. ; Chong, D. P. ; Wang, F. Prediction Of Spectroscopic Constants For Diatomic Molecules In The Ground And Excited States Using Time-Dependent Density Functional Theory. Journal of Computational Chemistry 2006, 27, 163-173.

2005

Maruani, J. ; Kuleff, A. I. ; Chong, D. P. ; Bonnelle, C. Ansatz For The Evaluation Of The Relativistic Contributions To Core Ionization Energies In Complex Molecules Involving Heavy Atoms. International Journal of Quantum Chemistry 2005, 104, 397-410.
Chong, D. P. Augmenting Basis Set For Time-Dependent Density Functional Theory Calculation Of Excitation Energies: Slater-Type Orbitals For Hydrogen To Krypton. Molecular Physics 2005, 103, 749-761.
Takahata, Y. ; Chong, D. P. Estimation Of Hammett Sigma Constants Of Substituted Benzenes Through Accurate Density-Functional Calculation Of Core-Electron Binding Energy Shifts. International Journal of Quantum Chemistry 2005, 103, 509-515.
Chong, D. P. Density Functional Calculation Of K-Shell Spectra Of Small Molecules. Journal of Electron Spectroscopy and Related Phenomena 2005, 148, 115-121.

2004

Takahata, Y. ; Chong, D. P. ; Segala, M. Is Ham/3 (Hydrogenic Atoms In Molecules, Version 3) A Semiempirical Version Of Dft (Density Functional Theory) For Ionization Processes?. Journal of the Brazilian Chemical Society 2004, 15, 282-291.
Cooke, S. A. ; Gerry, M. C. L. ; Chong, D. P. The Calculation Of Field Shift Effects In The Rotational Spectra Of Heavy Metal-Containing Diatomic Molecules Using Density Functional Theory: Comparison With Experiment For The Tl-Halides And Pb-Chalcogenides. Chemical Physics 2004, 298, 205-212.
Chong, D. P. ; Van Lenthe, E. ; Van Gisbergen, S. ; Baerends, E. J. Even-Tempered Slater-Type Orbitals Revisited: From Hydrogen To Krypton. Journal of Computational Chemistry 2004, 25, 1030-1036.
Motozaki, W. ; Otsuka, T. ; Endo, K. ; Chong, D. P. Electron Binding Energies Of Si 2P And S 2P For Si- And S-Containing Substances By Dft Calculations Using The Model Molecules. Polymer Journal 2004, 36, 600-606.

2003

Takahata, Y. ; Chong, D. P. Dft Calculation Of Core-Electron Binding Energies. Journal of Electron Spectroscopy and Related Phenomena 2003, 133, 69-76.
Endo, K. ; Koizumi, S. ; Otsuka, T. ; Ida, T. ; Morohashi, T. ; Onoe, J. ; Nakao, A. ; Kurmaev, E. Z. ; Moewes, A. ; Chong, D. P. Analysis Of Electron Spectra Of Carbon Allotropes (Diamond, Graphite, Fullerene) By Density Functional Theory Calculations Using The Model Molecules. Journal of Physical Chemistry A 2003, 107, 9403-9408.

2002

Takaoka, K. ; Otsuka, T. ; Naka, K. ; Niwa, A. ; Suzuki, T. ; Bureau, C. ; Maeda, S. ; Hyodo, K. ; Endo, K. ; Chong, D. P. Analysis Of X-Ray Photoelectron Spectra Of Electrochemically Prepared Polyaniline By Dft Calculations Using Model Molecules. Journal of Molecular Structure 2002, 608, 175-182.
Jensen, L. ; van Duijnen, P. T. ; Snijders, J. G. ; Chong, D. P. Time-Dependent Density Functional Study Of The Static Second Hyperpolarizability Of Bb-, Nn- And Bn-Substituted C-60. Chemical Physics Letters 2002, 359, 524-529.
Chong, D. P. ; Aplincourt, P. ; Bureau, C. Dft Calculations Of Core-Electron Binding Energies Of The Peptide Bond. Journal of Physical Chemistry A 2002, 106, 356-362.
Chong, D. P. ; Gritsenko, O. V. ; Baerends, E. J. Interpretation Of The Kohn-Sham Orbital Energies As Approximate Vertical Ionization Potentials. Journal of Chemical Physics 2002, 116, 1760-1772.
Otsuka, T. ; Chong, D. P. ; Maki, J. ; Kawabe, H. ; Endo, K. Theoretical Auger Electron And X-Ray Emission Spectra Of Co And H2O By Density Functional Theory Calculations. Chemical Physics Letters 2002, 352, 511-520.
Otsuka, T. ; Koizumi, S. ; Endo, K. ; Kawabe, H. ; Chong, D. P. Theoretical Auger Electron Spectra Of Polymers By Density Functional Theory Calculations Using Model Dimers. Journal of Computational Chemistry 2002, 23, 394-401.
Otsuka, T. ; Koizumi, S. ; Endo, K. ; Chong, D. P. Theoretical X-Ray Photoelectron And Auger Electron Spectra Of Polymers By Density Functional Theory Calculations Using Model Dimers. Journal of Molecular Structure-Theochem 2002, 619, 241-247.

2001

Endo, K. ; Koizumi, S. ; Otsuka, T. ; Suhara, M. ; Morohasi, T. ; Kurmaev, E. Z. ; Chong, D. P. Analysis Of Xps And Xes Of Diamond And Graphite By Dft Calculations Using Model Molecules. Journal of Computational Chemistry 2001, 22, 102-108.
Shapley, W. A. ; Chong, D. P. Pw86-Pw91 Density Functional Calculation Of Vertical Ionization Potentials: Some Implications For Present-Day Functionals. International Journal of Quantum Chemistry 2001, 81, 34-52.
Endo, K. ; Shimada, S. ; Ida, T. ; Suhara, M. ; Kurmaev, E. Z. ; Moewes, A. ; Chong, D. P. Theoretical X-Ray Photoelectron And Emission Spectra Of Si- And S-Containing Polymers By Density-Functional Theory Calculations Using Model Molecules. Journal of Molecular Structure 2001, 561, 17-28.

2000

Otsuka, T. ; Endo, K. ; Suhara, M. ; Chong, D. P. Theoretical X-Ray Photoelectron Spectra Of Polymers By Demon Dft Calculations Using The Model Dimers. Journal of Molecular Structure 2000, 522, 47-60.
Shimada, S. ; Ida, T. ; Endo, K. ; Suhara, M. ; Kurmaev, E. Z. ; Chong, D. P. Theoretical X-Ray Photoelectron And Emission Spectra Of C-, N-, And O-Containing Polymers By Density-Functional Theory Calculations Using Model Molecules. Polymer Journal 2000, 32, 1030-1037.
Takahata, Y. ; Chong, D. P. Accurate Density-Functional Calculation Of Core-Electron Binding Energies Of Some Substituted Benzenes. Bulletin of the Chemical Society of Japan 2000, 73, 2453-2460.
Chong, D. P. ; Bureau, C. Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set - Vii. Effects Of Poorer Geometry And Poorer Basis Sets. Journal of Electron Spectroscopy and Related Phenomena 2000, 106, 1-6.
Chong, D. P. ; Cavigliasso, G. Density Functional Calculation Of Core-Electron Binding Energies Of Isomers Of C3H6O2 And C3H5No. International Journal of Quantum Chemistry 2000, 76, 44-50.
Takaoka, K. ; Maeda, S. ; Miura, H. ; Otsuka, T. ; Endo, K. ; Chong, D. P. Theoretical Valence Photoelectron And Uv-Visible Absorption Spectra Of Four Stable Conductive Molecules Obtained By Mo Calculations. Bulletin of the Chemical Society of Japan 2000, 73, 43-51.
Hu, C. H. ; Chong, D. P. Computational Study Of Vertical Ionization Potentials Using Density Functional Theory And Green’S Function Methods. Journal of the Chinese Chemical Society 2000, 47, 141-147.

1999

Takahata, Y. ; Chong, D. P. Density-Functional Calculations Of Molecular Electron Affinities. Journal of the Brazilian Chemical Society 1999, 10, 354-358.
Cavigliasso, G. ; Chong, D. P. Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Vi: Extension To Boron-Containing Molecules. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1999, 77, 24-27.
Cavigliasso, G. ; Chong, D. P. Accurate Density-Functional Calculation Of Core-Electron Binding Energies By A Total-Energy Difference Approach. Journal of Chemical Physics 1999, 111, 9485-9492.

1998

Bureau, C. ; Chong, D. P. Accurate Density Functional Calculations Of Core Xps Spectra: Simulating Chemisorption And Intermolecular Effects On Real Systems?. Journal of Electron Spectroscopy and Related Phenomena 1998, 88, 657-663.
Chong, D. P. ; Hu, C. H. Accurate Density Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Iv. Application To Isomers Of C3H6O, C3H3No, And C6H6. Journal of Chemical Physics 1998, 108, 8950-8956.
Chong, D. P. ; Hu, C. H. Density-Functional Calculation Of The Inner-Shell Spectra For Two Stable Enol Tautomers: Acetylacetone And Malonaldehyde. Journal of Electron Spectroscopy and Related Phenomena 1998, 94, 181-185.
Takaoka, K. ; Maeda, S. ; Miura, H. ; Endo, K. ; Chong, D. P. Theoretical Valence Xps And Uv-Visible Absorption Spectra Of Four Leucodyes Using Mo Calculations. Bulletin of the Chemical Society of Japan 1998, 71, 807-816.
Chong, D. P. This And That. Journal of Chemical Education 1998, 75, 410-411.
Kuroki, S. ; Endo, K. ; Maeda, S. ; Chong, D. P. ; Duffy, P. Analysis Of X-Ray Photoelectron Spectra Of Silicon-Based Polymers By Demon Density Functional Calculations Using Model Molecules. Polymer Journal 1998, 30, 142-148.

1997

Bureau, C. ; Chong, D. P. ; Endo, K. ; Delhalle, J. ; Lecayon, G. ; LeMoel, A. Recent Advances In The Practical And Accurate Calculation Of Core And Valence Xps Spectra Of Polymers: From Interpretation To Simulation?. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms 1997, 131, 1-12.
Hu, C. H. ; Chong, D. P. ; Casida, M. E. The Parametrized Second-Order Green Function Times Screened Interaction (Pgw2) Approximation For Calculation Of Outer Valence Ionization Potentials. Journal of Electron Spectroscopy and Related Phenomena 1997, 85, 39-46.
Pulfer, M. ; Hu, C. H. ; Chong, D. P. Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set .2. Confirmation With A Total Of Seventy-Six Cases. Chemical Physics 1997, 216, 91-98.
Hu, C. H. ; Chong, D. P. Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set .3. Extension To Open-Shell Molecules. Chemical Physics 1997, 216, 99-104.
Bureau, C. ; Chong, D. P. Density Functional Calculations Of Core-Electron Binding Energies Of Amines. Application To (Ch3)(3)N-Ni And (Ch3)(4)N+-Ni. Chemical Physics Letters 1997, 264, 186-192.
Bureau, C. ; Chong, D. P. ; Lecayon, G. ; Delhalle, J. Accurate Density Functional Calculation Of Core Electron Binding Energies .5. Application To Nitriles. Model Molecules For Polyacrylonitrile Revisited. Journal of Electron Spectroscopy and Related Phenomena 1997, 83, 227-234.
Kranias, S. ; Bureau, C. ; Chong, D. P. ; Brenner, V. ; George, I. ; Viel, P. ; Lecayon, G. Evidencing Intermolecular Effects With Core-Level Photoelectron Spectroscopy Via The Accurate Density Functional Calculation Of Core-Electron Binding Energies On Model Systems: Gamma-Aps As A Test. Journal of Physical Chemistry B 1997, 101, 10254-10261.

1996

Hu, C. H. ; Chong, D. P. Density Functional Calculation Of Core-Electron Binding Energies Of Transition Metal Carbonyl And Nitrosyl Complexes. Chemical Physics Letters 1996, 262, 733-736.
Hu, C. H. ; Chong, D. P. Density Functional Computations For Inner-Shell Excitation Spectroscopy. Chemical Physics Letters 1996, 262, 729-732.
Papousek, D. ; Papouskova, Z. ; Chong, D. P. Density Functional Computations Of The Dipole Moment Derivatives For Halogenated Silanes. Theochem-Journal of Molecular Structure 1996, 363, 115-124.
Chong, D. P. Density Functional Calculation Of Core-Electron Binding Energies Of Glycine Conformers. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1996, 74, 1005-1007.
Chong, D. P. ; Hu, C. H. ; Duffy, P. Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Twelve Test Cases And Application To Three C2H4O2 Isomers. Chemical Physics Letters 1996, 249, 491-495.
Endo, K. ; Kaneda, Y. ; Okada, H. ; Chong, D. P. ; Duffy, P. Analysis Of X-Ray Photoelectron Spectra Of Eight Polymers By Demon Density-Functional Calculations Using The Model Oligomers. Journal of Physical Chemistry 1996, 100, 19455-19460.

1995

Chong, D. P. Density-Functional Calculation Of Core-Electron Binding-Energies Of C, N, O, And F. Journal of Chemical Physics 1995, 103, 1842-1845.
Papousek, D. ; Papouskova, Z. ; Chong, D. P. Density-Functional Computations Of The Dipole-Moment Derivatives For Halogenated Methanes. Journal of Physical Chemistry 1995, 99, 15387-15395.
Papousek, D. ; Papouskova, D. ; Chong, D. P. Electric-Dipole Moment Derivatives For Germane Computed By Density-Functional Method. Indian Journal of Chemistry Section a-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry 1995, 34, 760-764.
Cohen, M. J. ; Chong, D. P. Density-Functional Calculations Of Fermi Contact Hyperfine Coupling Parameters. Chemical Physics Letters 1995, 234, 405-412.
Chong, D. P. Accurate Calculation Of Core-Electron Binding-Energies By The Density-Functional Method. Chemical Physics Letters 1995, 232, 486-490.
Chong, D. P. Completeness Profiles Of One-Electron Basis-Sets. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1995, 73, 79-83.
Duffy, P. ; Chong, D. P. ; Dupuis, M. One-Electron Properties Of Several Small Molecules Calculated Using The Local-Density Approximation Within Density-Functional Theory. Journal of Chemical Physics 1995, 102, 3312-3321.
Endo, K. ; Inoue, C. ; Kaneda, Y. ; Aida, M. ; Kobayashi, N. ; Chong, D. P. Simulation Of The Valence X-Ray Photoelectron-Spectra Of 16 Polymers By The Semiempirical Ham/3 Mo Method Using The Model Molecules. Bulletin of the Chemical Society of Japan 1995, 68, 528-538.
Endo, K. ; Kaneda, Y. ; Aida, M. ; Chong, D. P. Analysis Of Valence Xps Of (Ch2-Chr)(N) (R=H, Ch3, Oh And F), (Ch2-Ch2-Nh)(N) And (Ch2-Ch2-O)(N) Polymers By The Semiempirical Ham/3 Mo Method Using The N-Mer (N=2, 3, 4, 5) Model. Journal of Physics and Chemistry of Solids 1995, 56, 1131-1140.

1994

Aida, M. ; Kaneda, Y. ; Kobayashi, N. ; Endo, K. ; Chong, D. P. Analysis Of The Valence X-Ray Photoelectron-Spectra Of 8 (-Ch2-Chr-)(N) And 2 (-Ch2-C(Ch3)R-)(N) Polymers By The Semiempirical Ham/3 Mo Method Using The Trimer Model Molecules H-(-Ch2-Chr-)(3)-H And H-(-Ch2-C(Ch3)R-)(3)-H. Bulletin of the Chemical Society of Japan 1994, 67, 2972-2979.
Chong, D. P. {Local-Density Studies Of Diatomic Ab Molecules, A. Chemical Physics Letters 1994, 220, 102-108.
Chong, D. P. {Local-Density Calculations Of Static Dielectric-Properties Of Ch4-Ncln. Chemical Physics Letters 1994, 217, 539-543.
Ma, N. L. ; Li, W. K. ; Chong, D. P. ; Ng, C. Y. Comparison Of Molecular-Energy Predictions For The Neutral And Ionic (C, H-N, O N=0-4) System By Ab-Initio Gaussian-2 And Density-Functional Methods. Chemical Physics 1994, 179, 365-375.
Duffy, P. ; Chong, D. P. ; Casida, M. E. ; Salahub, D. R. Assessment Of Kohn-Sham Density-Functional Orbitals As Approximate Dyson Orbitals For The Calculation Of Electron-Momentum-Spectroscopy Scattering Cross-Sections. Physical Review A 1994, 50, 4707-4728.
Venkateswaran, K. ; Stadlbauer, J. M. ; Laing, M. E. ; Klugkist, J. ; Chong, D. P. ; Porter, G. B. ; Walker, D. C. Intramolecular Selectivity Of Muonium Towards Chlorinated Aromatic-Compounds. Hyperfine Interactions 1994, 87, 947-952.

1993

Guan, J. G. ; Duffy, P. ; Carter, J. T. ; Chong, D. P. ; Casida, K. C. ; Casida, M. E. ; Wrinn, M. Comparison Of Local-Density And Hartree-Fock Calculations Of Molecular Polarizabilities And Hyperpolarizabilities. Journal of Chemical Physics 1993, 98, 4753-4765.
Chong, D. P. ; Bree, A. V. Calculated Infrared Intensities For The Bending Mode In Some Small Linear-Molecules. Chemical Physics Letters 1993, 210, 443-447.
Chong, D. P. ; Ng, C. Y. Predictions Of Adiabatic Ionization Energies And Electron-Affinities For Ch3S And Ch2Sh By Density Functional Method. Journal of Chemical Physics 1993, 98, 759-760.
Duffy, P. ; Chong, D. P. Study Of Transition-State Methods In The Calculation Of Vertical Ionization-Potentials By Local-Density Approximation. Organic Mass Spectrometry 1993, 28, 321-326.

1991

Casida, M. E. ; Chong, D. P. Simplified Green-Function Approximations - Further Assessment Of A Polarization Model For 2Nd-Order Calculation Of Outer-Valence Ionization-Potentials In Molecules. Physical Review A 1991, 44, 5773-5783.
Chong, D. P. Linear Least-Squares Fits With Errors In Both Coordinates - Comment. American Journal of Physics 1991, 59, 472-474.
Chong, D. P. ; Langhoff, S. R. ; Bauschlicher, C. W. Theoretical-Study Of The Hyperfine Parameters Of Oh. Journal of Chemical Physics 1991, 94, 3700-3706.
Casida, M. E. ; Chong, D. P. Quasi-Particle Equation From The Configuration-Interaction (Ci) Wave-Function Method. International Journal of Quantum Chemistry 1991, 40, 225-242.

1990

Chong, D. P. Theoretical-Study Of Hydrazoic Acid And Methyl Azide. Chemical Physics Letters 1990, 175, 525-530.
Chong, D. P. ; Langhoff, S. R. Theoretical-Study Of Polarizabilities And Hyperpolarizabilities Of Ne, Hf, F-, And Oh. Journal of Chemical Physics 1990, 93, 570-578.

1989

Casida, M. E. ; Chong, D. P. Physical Interpretation And Assessment Of The Coulomb-Hole And Screened-Exchange Approximation For Molecules. Physical Review A 1989, 40, 4837-4848.
Casida, M. E. ; Chong, D. P. Contribution Of Correlation And Relaxation To Generalized Overlaps For Outer-Valence Ionization. Chemical Physics 1989, 133, 47-63.
Casida, M. E. ; Chong, D. P. Large R Approximation For Spherically Averaged Momentum Distributions. Chemical Physics 1989, 132, 391-405.

1988

Bauschlicher, C. W. ; Langhoff, S. R. ; Partridge, H. ; Chong, D. P. Theoretical-Study Of The Nitrogen Atom Hyperfine Coupling-Constant. Journal of Chemical Physics 1988, 89, 2985-2992.

1985

Chantranupong, L. ; Chong, D. P. Calculation Of Vertical Ionization-Potentials Of Hydrogen Persulfide By Perturbation Corrections To Koopmans Theorem. Theochem-Journal of Molecular Structure 1985, 26, 37-44.
Mukherjee, P. K. ; Chong, D. P. Abinitio Calculation Of Core-Electron Binding-Energies In Small Molecules. Chemical Physics Letters 1985, 120, 163-166.
Chong, D. P. Adaptation Of The Gelius Intensity Model In Semiempirical Ham/3 Molecular-Orbital Calculations Of Valence Photoelectron-Spectra Excited By X-Ray-Radiation. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1985, 63, 2007-2011.

1984

Takahata, Y. ; Collins, K. E. ; Chong, D. P. Calculated K-Beta-K-Alpha Ratios For V-51 X-Rays Resulting From The Decay Of Cr-51 Atoms In Different Oxidation Sates. Anais Da Academia Brasileira De Ciencias 1984, 56, 51-55.
Chong, D. P. ; Westwood, N. P. C. ; Langhoff, S. R. Methylketene And Dimethylketene - He-I Photoelectron-Spectra And Vertical Ionization-Potentials Calculated By Using Perturbation Corrections To Koopmans Theorem. Journal of Physical Chemistry 1984, 88, 1479-1481.
Gardner, A. ; Mukherjee, P. K. ; Chong, D. P. Study Of Shake-Up Satellites In Core-Electron Photoelectron-Spectra Of C2H4, H2Co, C4H4O, C2H2 And C3O2 Using The Semiempirical Ham/3 Method. Theochem-Journal of Molecular Structure 1984, 17, 25-34.

1983

Langhoff, S. R. ; Bauschlicher, C. W. ; Chong, D. P. Theoretical-Study Of The Effects Of Vibrational-Rotational Interactions On The Raman-Spectrum Of N2. Journal of Chemical Physics 1983, 78, 5287-5292.
Chong, D. P. ; Mukherjee, P. K. Transition Atomic Basis Set For The Calculation Of Core Electron-Binding Energies By A Transition Operator Method. Chemical Physics Letters 1983, 94, 383-387.
Langhoff, S. R. ; Jaffe, R. L. ; Chong, D. P. Use Of Effective Core Potentials In Perturbation Corrections To The Koopmans Theorem - Vertical Ionization-Potentials Of Cl2,cln3,and Clnco. International Journal of Quantum Chemistry 1983, 23, 875-886.
Langhoff, S. R. ; Chong, D. P. Calculation Of Vertical Ionization-Potentials Of Chloroketene And Dichloroketene By Perturbation Corrections To Koopmans Theorem Using An Effective Core Potential. Chemical Physics Letters 1983, 100, 259-262.
Minato, T. ; Chong, D. P. Calculation Of Vertical Ionization-Potentials Of Hydrogen-Peroxide By Perturbation Corrections To Koopmans Theorem. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1983, 61, 550-552.
Chong, D. P. ; Minato, T. ; Mukherjee, P. K. Calculations Of Core-Electron Binding-Energies By Transition Operator Method Followed By Rayleigh-Schrodinger Perturbation-Theory. International Journal of Quantum Chemistry 1983, 23, 1903-1914.
Mukherjee, P. K. ; Minato, T. ; Chong, D. P. Finite-Field Calculations Of Molecular Polarizabilities Using Field-Induced Polarization Functions .2. 2Nd-Order And 3Rd-Order Perturbation Correlation Corrections To The Coupled Hartree-Fock Polarizability Of Hf. International Journal of Quantum Chemistry 1983, 23, 447-457.
Chong, D. P. Semiempirical Ham/3 Calculation Of Valence-Electron Shake-Up Satellite Bands In The Ionization Spectra Of Co2, N2O, And C2F4. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1983, 61, 1-6.

1982

Langhoff, S. R. ; Chong, D. P. Calculation Of The Vertical Ionization-Potentials Of Oxygen Difluoride, Difluoramine, And Difluoromethane By Perturbation Corrections To Koopmans Theorem. Chemical Physics Letters 1982, 86, 487-490.
Mukherjee, P. K. ; Chong, D. P. Calculation Of Vertical Ionization-Potentials Of Hydrogen-Fluoride By Perturbation Corrections To Koopmans Theorem. Chemical Physics Letters 1982, 86, 190-194.
Chong, D. P. ; Langhoff, S. R. Perturbation Corrections To Koopmans Theorem .5. A Study With Large Basis-Sets. Chemical Physics 1982, 67, 153-159.
Chong, D. P. ; Frost, D. C. ; Lau, W. M. ; McDowell, C. A. Shake-Up Satellites In Hel Photo-Electron Spectra - N2O4 And Ch3No. Chemical Physics Letters 1982, 90, 332-336.

1981

Chong, D. P. Calculation Of Auger-Electron Spectra Of H2O, Hf And C2H4 With The Semiempirical Ham-3 Molecular-Orbital Method. Chemical Physics Letters 1981, 82, 511-516.
Langhoff, S. R. ; Chong, D. P. Calculation Of The Vertical Ionization-Potentials Of Oxygen Difluoride, Difluoramine, And Difluoromethane By Configuration-Interaction. Chemical Physics 1981, 55, 355-360.
Chong, D. P. ; Kirby, C. ; Lau, W. M. ; Minato, T. ; Westwood, N. P. C. Difluoroborane, Hbf2 - A Study By Hei Photoelectron-Spectroscopy, And Abinitio Methods Including Perturbation Corrections To Koopmans Theorem. Chemical Physics 1981, 59, 75-83.

1980

Zeiss, G. D. ; Chong, D. P. Calculation Of The Vertical Ionization-Potentials Of Hcno, Hnco, Hocn, And Hn3 By Perturbation Corrections To Koopmans Theorem. Journal of Electron Spectroscopy and Related Phenomena 1980, 18, 279-294.
Minato, T. ; Chong, D. P. Calculation Of Vertical Ionization-Potentials Of Difluoramine By Perturbation Corrections To Koopmans Theorem. Chemical Physics Letters 1980, 72, 252-255.
Asbrink, L. ; Fridh, C. ; Lindholm, E. ; Debruijn, S. ; Chong, D. P. Ham-4, An Improved Semi-Empirical Mo Method, Based Upon Slaters Shielding Concept. Physica Scripta 1980, 22, 475-482.
Chong, D. P. Shifted Hartree-Fock Eigenvalues And Slaters Transition-State Concept. Chemical Physics Letters 1980, 73, 181-185.

1979

Zeiss, G. D. ; Scott, W. R. ; Suzuki, N. ; Chong, D. P. ; Langhoff, S. R. Finite-Field Calculations Of Molecular Polarizabilities Using Field-Induced Polarization Functions - 2Nd-Order And 3Rd-Order Perturbation Correlation Corrections To The Coupled Hartree-Fock Polarizability Of H2O. Molecular Physics 1979, 37, 1543-1572.
Chong, D. P. Study Of The Semi-Empirical Ham-3 Mo Method. Theoretica Chimica Acta 1979, 51, 55-64.

1978

Chong, D. P. ; Langhoff, S. R. Calculation Of Vertical Ionization-Potentials By Configuration Interaction. Chemical Physics Letters 1978, 59, 397-402.
Chong, D. P. Calculation Of Vertical Ionization-Potentials Of Ketene By Perturbation Corrections To Koopmans Theorem. Theoretica Chimica Acta 1978, 50, 181-184.
Chong, D. P. ; Herring, F. G. ; Takahata, Y. Prediction Of Large Corrections To Koopmans Theorem And Abinitio Vertical Ionization-Potentials Of Hocl, Focl And Cl2O. Journal of Electron Spectroscopy and Related Phenomena 1978, 13, 39-47.

1977

Chong, D. P. ; Takahata, Y. Perturbation Corrections To Koopmans Theorem .4. Energy-Shifted Perturbation-Theory. International Journal of Quantum Chemistry 1977, 12, 549-559.
Chong, D. P. ; Takahata, Y. Vibrational Structure In Diatomic Photoelectron-Spectra - Application To Cs, Pn, Sio And P-2. Journal of Electron Spectroscopy and Related Phenomena 1977, 10, 137-145.

1976

Chong, D. P. Semirigorous Bounds For Overlap Of Approximate Wavefunctions. Chemical Physics Letters 1976, 39, 531-535.

1975

Chong, D. P. ; Herring, F. G. ; McWilliams, D. Calculation Of Vibrational Structure In Molecular Photoelectron-Spectra. Journal of Electron Spectroscopy and Related Phenomena 1975, 7, 429-443.
Chong, D. P. ; Scott, W. R. ; Yue, C. P. Study Of Distinguishable Electron Method. Journal of Chemical Physics 1975, 62, 1540-1543.
Chong, D. P. ; Herring, F. G. ; McWilliams, D. Theoretical-Study Of Vertical Ionization-Potentials Of Hno, Fno, O3, Cf2 And N2H2. Journal of Electron Spectroscopy and Related Phenomena 1975, 7, 445-455.

1974

Chong, D. P. ; Scott, W. R. ; Yue, C. P. ; Wang, P. S. C. ; Benston, M. L. ; Palke, W. E. Application Of Distinguishable Electron Method. International Journal of Quantum Chemistry 1974, 8, 137-150.
Chong, D. P. ; Herring, F. G. ; , Computational Study Of Vertical Ionization-Potentials Using Deltaindo+Foci Method. Journal of the Chemical Society-Faraday Transactions Ii 1974, 2, 193-202.
Chong, D. P. ; Herring, F. G. ; , Perturbation Corrections To Koopmans Theorem .1. Double-Zeta Slater-Type-Orbital Basis. Journal of Chemical Physics 1974, 61, 78-84.
Chong, D. P. ; Herring, F. G. ; , Perturbation Corrections To Koopmans Theorem .2. Study Of Basis Set Variation. Journal of Chemical Physics 1974, 61, 958-962.
Chong, D. P. ; Herring, F. G. ; , Perturbation Corrections To Koopmans Theorem .3. Extension To Molecules Containing Si, P, S, And Cl And Comparison With Other Methods. Journal of Chemical Physics 1974, 61, 3567-3570.
Chong, D. P. ; Herring, F. G. ; , Vertical Ionization-Potentials Of Hypofluorous Acid As Calculated By Perturbation Corrections To Koopmans Theorem. Chemical Physics Letters 1974, 25, 568-570.

1973

Chong, D. P. ; Yue, C. P. ; Scott, W. R. Perturbation Calculations On Split-Shell Wavefunctions Of 2-Electron Atoms. Theoretica Chimica Acta 1973, 32, 1-12.
Wang, P. S. C. ; Benston, M. L. ; Chong, D. P. Constrained Variation Method For Excited-State Energies Of Atoms And Molecules. Journal of Chemical Physics 1973, 59, 1721-1725.

1969

Thorhallsson, J. ; Chong, D. P. Application Of Virial Scaling To Calculation Of Diatomic Forces And Force Constants. Chemical Physics Letters 1969, 4, 405-407.