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PDFs of the papers are available if requested by email to dale_keefe@cbu.ca

Number Authors Title Year Reference
Links
44 Keefe, C. D
Isenor, M

Ab Initio Study of the Interaction of CHX3 (X=H, F, Cl, Br) with Benzene and Hexafluorobenzene

 2008 J. Phys. Chem. A, In Press  
43 Keefe, C. D.
Gillis, E. 		Temperature Dependence of the Optical Properties of Liquid Benzene in the Infrared between 25 and 50 °C 2008 Spectrochimica Acta Part A, In Press  
42 Keefe, C. D.
MacDonald, J. L.		 Optical Constant, Molar Absorption Coefficient, and Imaginary Molar Polarizability Spectra of Liquid Hexane at 25°C Extended to 100 cm-1 and Vibrational Assignment and Absolute Integrated Intensities Between 4000 and 100 cm-1. 2007 Vibrational Spectroscopy, 44, 121 - 132 (2007) Text
41 Keefe, C. D
 Butler E
Gillis E.
MacDonald J. L.		 Optical Constants, Dielectric Constants, Molar Absorption Coefficients, Molar Polarizability, Vibrational Assignment and Transition Moments of Liquid Iodobenzene between 4000 and 400 cm-1 at 25°C 2007 Spectrochimica Acta Part A, 67A, 125 - 138  (2007) Text
40 Keefe, C. D. The Dipole Moment Derivatives of Gaseous Benzene: A Comparison of Experimental and Ab Initio Values 2006 Chemical Physics, 327, 180 - 186 (2006) Text
39 Keefe, C. D.
Bertie, J. E.		 Dipole moment derivatives with respect to the internal coordinates of benzene in the liquid and gas phases 2006 Spectrochimica Acta Part A,  65A, 650 - 658(2006) Text
38 Keefe, C. D.
Bertie, J. E.		 Liquid-phase Force Field and Dipole Moment Derivatives with Respect to Internal Coordinates of Benzene 2006 Spectrochimica Acta Part A, 65A, 638 - 649 (2006) Text
37 Keefe, C. D.
MacDonald, J. L.		 Vibrational Assignment and Integrated Intensities of Liquid Toluene-d8 from 4000 to 450 cm-1 at 25°C 2006 Spectrochimica Acta Part A, 64A, 483-494 (2006) Text
36 Keefe, C. D.
MacDonald, J. L.		 Absolute Integrated Infrared Intensities of Liquid Fluorobenzene between 4000 and 400 cm-1 at 25oC 2006 Vib. Spec. 40, 166 - 174 (2006) Text
35 Keefe, C. D.
MacInnis, S.		 Vibrational Assignment and Dipole Moment Derivatives of Hexafluorobenzene between 4000 and 250 cm-1 2006  J. Mol. Struct. 785, 192-204, (2006) Text
34 Bertie, J. E.
Apelblat, Y.
Keefe, C. D. 		Infrared Intensities of Liquids XXV: Dielectric Constants, Molar Polarizabilities and Integrated Intensities of Liquid Toluene at 25 °C between 4800 and 400 cm-1 2005  J. Mol. Struct. 750, 78-93 (2005). Text
33 Keefe, C. D.
Pearson, J. K.		 Vibrational Assignment and Absolute Integrated Intensities of Liquid Bromobenzene-d5 between 4000 and 400 cm-1 at 25 °C 2005 J. Mol. Struct. 751, 190-199 (2005). Text
32 Keefe, C. D.
MacDonald, J. L.		 Optical Constant, Dielectric Constant and Molar Polarizability Spectra of Liquid Hexane between 4000 and 400 cm-1 at 25oC 2005  J. Mol. Liq. 121, 121-126 (2005). Text
Data Files
31 Keefe, C. D.
MacInnis, S.		 Temperature Dependence of the Optical Properties of Liquid Toluene between 4000 and 400 cm-1 from 30 to 105°C 2005  J. Mol. Struct., 737, 207-219 (2005). Text
Data Files
30 Keefe, C. D.
Barrett, J.
Jessome, L. L.		 Vibrational Assignment of Fluorobenzene between 4000 and 400 cm-1 at 25°C 2005 J. Mol. Struct., 734, 67-75 (2005). Text
Data Files
29 Keefe, C. D.
Pearson, J. K.		 Ab Initio Investigations of Dipeptide Structures 2004 J. Mol. Struct. (Theochem), 679, 65-72 (2004). Text
Data files
28 Keefe, C. D.
Brand, E.		 Optical Constants and vibrational assignment of ethylbenzene between 4000 and 450 cm-1 at 25oC 2004 J. Mol. Struct., 691, 181-189 (2004). Text
 Data Files
27 Bertie, J. E.
Keefe, C. D.		 Infrared Intensities of Liquids XXIV: Optical Constants of Liquid Benzene-h6 at 25°C Extended to 11.5 cm‑1 and Molar Polarizabilities and Integrated Intensities of Benzene-h6 between 6200 and 11.5 cm‑1 2004 J. Mol. Struct., 695-696, 39-57 (2004). Text
Data Files
26 Keefe, C. D.
Pearson, J. K.
MacDonald, A.		 Optical constants and vibrational assignment of liquid toluene-d8 between 4000 and 450 cm-1 at 25oC 2003 J. Mol. Struct., 655, 69-80 (2003). Text
Data Files
25 Keefe, C. D. Computer Programs for the Determination of Optical Constants from Transmission Spectra and the Study of Absolute Absorption Intensities 2002 J. Mol. Struct. 641, 165-173 (2002). Text
Programs
24 Keefe, C. D.
Pearson, J. K.		 A new technique for determining the optical constants of liquids 2002 Applied Spectroscopy, 56, 928 (2002). Text
23 Keefe, C. D.
MacInnis, S.
Burchell, T.		 Optical constants and integrated intensities of liquid hexafluorobenzene between 4000 and 250 cm-1 at 25oC 2002 J. Mol. Struct., 610, 253 (2002). Data Files
22 Keefe, C. D.
Donovan, L. A.		 Optical constants and vibrational assignment of liquid bromobenzene-d5 between 4000 and 400 cm-1 at 25°C 2001 J. Mol. Struct., 597, 259 - 268 (2001). Data Files
21 Keefe, C. D. Curvefitting Imaginary Components of Optical Properties: Restrictions on the lineshape due to Causality 2001 J. Mol. Spec., 205, 261-268 (2001).  
20 Bertie, J. E.
Apelblat, Y.
Keefe, C. D.		 Infrared Intensities of Liquids XXIII: Infrared Optical Constants and Integrated Intensities of Liquid Benzene-d1 at 25°C 2000 J. Mol. Struct. 550-551, 135-165 (2000). Data Files
19 Keefe, C. D.
Donovan, L. A.
Fleet, S. D.		 Vibrational Assignment and Dipole Moment Derivatives of liquid bromobenzene at 25°C 1999 Journal of Physical Chemistry A, 103, 6420-6428 (1999). Data Files
18 Keefe, C. D.
Pittman, J.		 The optical constants and dipole moment derivatives of bromobenzene between 3200 and 400 cm-1 at 25ºC 1998 Applied Spectroscopy, 52, 1062-1072 (1998). Data Files
17 Bertie, J. E.
Keefe, C. D.		 Infrared intensities of liquids XXII: optical and dielectric constants, molar polarizabilities, and integrated intensities of liquid benzene-d6 at 25ºC between 5000 and 450 cm-1 1998 Fresenius' Journal of Analytical Chemistry, 362, 91-108 (1998). Data Files
16 Keefe, C. D.
Revesz, Erika
Dionne, Michel
Morin, Mario		 Second harmonic generation study of the reconstruction of an Au(110) electrode in HClO4 1997 Can. J. Chem., 75, 449-455 (1997).  
15 Bertie, J. E.
Zhang, S. L.
Jones, R. N.
Apelblat, Y.
Keefe, C. D.		 The Determination and Use of Secondary Infrared Intensity Standards 1995 Applied Spectroscopy, 49, 1821-1825 (1995).  
14 Bertie, J. E.
Keefe, C. D.
Jones, R. N.		 Tables of Intensities for the Calibration of Infrared Spectroscopic Measurements in the Liquid Phase 1995 Blackwell Science Ltd, Oxford, 1995.  
13 Bertie, J. E.
Zhang, S. L.
Keefe, C. D.		 The measurement and use of absolute infrared absorption intensities of neat liquids 1995 Vibrational Spectroscopy, 8, 215-229 (1995).  
12 Bertie, J. E.
Keefe, C. D.		 Comparison of Infrared Absorption Intensities of Benzene in the Liquid and Gas Phases 1994 Journal of Chemical Physics, 101, 4610 - 4616 (1994).  
11 Bertie, J. E.
Zhang, S. L.
Keefe, C. D.		 Infrared Intensities of Liquids XVI: Accurate Determination of Molecular Band Intensities from Infrared Refractive Index and Dielectric Constant Spectra 1994 Journal of Molecular Structure, 354, 157- 176 (1994). (Note: The RHS of eqn 21b should be multiplied by 3).  
10 Bertie, J. E.
Jones, R. N.
Apelblat, Y.
Keefe, C. D.		 Infrared Intensities of Liquids XIII: Accurate Optical Constants and Molar Absorption Coefficients Between 6500 and 435 cm-1 of Toluene at 25 °C, From Spectra Recorded in Several Laboratories 1994 Applied Spectroscopy, 48, 127 - 143 (1994). Data Files
9 Bertie, J. E.
Jones, R. N.
Apelblat, Y.
Keefe, C. D.		 Absolute Absorption Intensities of Liquids: The Determination of Secondary Infrared Absorption Intensity Standards; Absorption Intensities of Liquid Benzene, Chlorobenzene, and Toluene 1993 9th International Conference on Fourier Transform Spectroscopy, J. E. Bertie and Hal Wieser, Editors, Proc. SPIE, 2089, 432 - 433 (1993).  
8 Bertie, J. E.
Jones, R. N.
Apelblat, Y.
Keefe, C. D.		 Absolute Absorption Intensities of Liquids: The Use of Secondary Infrared Absorption Intensity Standards to Calibrate Transmission Cells 1993 9th International Conference on Fourier Transform Spectroscopy, J. E. Bertie and Hal Wieser, Editors, Proc. SPIE, 2089, 540 - 541 (1993).  
7 Bertie, J. E.
Jones, R. N.
Keefe, C. D.		 Infrared Intensities of Liquids XII: Accurate Optical Constants and Molar Absorption Coefficients Between 6225 and 500 cm-1 of Benzene at 25 °C, From Spectra Recorded in Several Laboratories 1993 Applied Spectroscopy, 47, 891 - 911 (1993). Data Files
6 Bertie, J. E.
Keefe, C. D.
Jones, R. N.		 Infrared Intensities of Liquids VIII: Accurate Baseline Correction of Transmission Spectra of Liquids for Computation of Absolute Intensities, and the 1036 cm-1 Band of Benzene as a Potential Intensity Standard 1991 Canadian Journal of Chemistry, 69, 1609 - 1618 (1991).  
5 Bertie, J. E.
Keefe, C. D.
Jones, R. N.		 Absolute Absorption Intensities of Liquids: Towards the Determination and Use of Secondary Infrared Absorption Intensity Standards; Absorption Intensities of Liquid Benzene 1991 8th International Conference on Fourier Transform Spectroscopy, H. M. Heise, E. H. Korte, and H. W. Siesler, Editors, Proc. SPIE 1575, 610 - 611 (1991).  
4 Bertie, J. E.
Keefe, C. D.
Jones, R. N.
Mantsch, H. H.
Moffatt, D. J.		 Infrared Intensities of Liquids VII: Progress towards Calibration Standards 1991 Applied Spectroscopy, 45, 1233 - 1239 (1991).  
3 Poirier, R. A.
Keefe, C. D.		 Computational Developments in SCF Calculations 1991 Journal of Molecular Structure (Theochem), 234, 19 - 26 (1991).  
2 Keefe, C. D.
Comisarow, M. B.		 A Family of Highly Accurate Interpolation Functions for Magnitude-Mode Fourier Transform Spectroscopy 1990 Applied Spectroscopy, 44, 600-613 (1990).  
1 Keefe, C. D.
Comisarow, M. B.		 Exact Interpolation of Apodized Magnitude-Mode Fourier Transform Spectra 1989 Applied Spectroscopy, 43, 605-607 (1989).  

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Number Authors (Presenting author in bold) Title Organization Date
Place
43 Keefe, C. D. Dipole Moment Derivatives of Benzene in the Liquid and Gas Phases: Evidence for Pseudo-Hydrogen Bonding 33rd  Federation of Analytical Chemistry and Spectroscopy Societies Conference September 2006 Orlando, Fl
42 Gillis, E.
Keefe, C. D. 		Ab Initio Dipole Moment Derivatives and Equilibrium Geometry of Benzene 2006 Atlantic Theoretical Chemistry Symposium August 2006 St.F.X, NS
41 Isenor,  M.
 Keefe, C. D.		 Ab Initio Study of C6H6, C6H5F and C6F6 Complexes with CH4 and CHX3 (X= F, Cl, Br) 2006 Atlantic Theoretical Chemistry Symposium August 2006 St.F.X, NS
40 MacDonald,  J. L.
 Keefe, C. D.		 A Study of Halogen Substitution on the Dipole Moment Derivatives of Simple Benzene Compounds 2006 Atlantic Theoretical Chemistry Symposium August 2006 St.F.X, NS
39 Keefe, C. D. Experimental and ab initio Dipole Moment Derivatives of Benzene in the Liquid and Gas Phases 89th Canadian Society for Chemistry Conference and Exhibition May 2006 Halifax, NS
38 Keefe, C. D. Incorporating a Numerical Methods/Computer Applications Course in the Undergraduate Physical Chemistry Program 89th Canadian Society for Chemistry Conference and Exhibition May 2006 Halifax, NS
37 Gillis, E.
Keefe, C. D. 		The Temperature Dependence of the Infrared Optical Properties of Liquid Benzene 89th Canadian Society for Chemistry Conference and Exhibition May 2006 Halifax, NS
36 MacDonald,  J. L.
 Keefe, C. D.		 The Effect of Organic Solvents on the Structure of Thermolysin as Studied By FT-IR Spectroscopy 89th Canadian Society for Chemistry Conference and Exhibition May 2006 Halifax, NS
35 Gillis, E.
Keefe, C. D. 		The Temperature Dependence of the Infrared Optical Properties of Liquid Benzene 2006 APICS/CIC Atlantic Student Chemistry Conference May 2006 Sackville, NB
34 MacDonald,  J. L.
 Keefe, C. D.		 The Effect of Organic Solvents on the Structure of Thermolysin as Studied By FT-IR Spectroscopy 2006 APICS/CIC Atlantic Student Chemistry Conference May 2006 Sackville, NB
33 Keefe, C. D. Molecular Behaviour Atlantic Deans of Arts and Science annual meeting November 25, 2005 Cape Breton University
32 MacDonald,  J. L.
 Keefe, C. D.

 

 Integrated Vibrational Intensities of Liquid Toluene-d8 from 4000-450 cm-1 at 25oC 2005 Dalhousie University Undergraduate Chemistry Society-Student Research Symposium September 24 2005 Halifax, NS
31 C. Dale Keefe Optical Constants: What are they good for? Absolute Intensities!   September 16, 2005 Dalhousie University
30 MacDonald,  Jennifer L.
 Keefe, C. Dale		 Intermolecular Interactions in the Liquid Phase: Infrared Absorption Intensities of Liquid Fluorobenzene 2005 APICS/CIC Atlantic Student Chemistry Conference May 2005 St. John's NL
29 Keefe, C. Dale The Measurement and Study of Absolute Absorption Intensities Atlantic Provinces Council on the Sciences, Chemistry Tour Speaker February 23-25, 2005 Université de Moncton; University of New Brunswick at St. John; University of Prince Edward Island
28 Keefe, C. Dale Popular Chemistry Association of Science Teachers - A Special Association of The Nova Scotia Teachers Union 2004 Conference  October 22, 2004 Halifax, Nova Scotia
27 Keefe, C. Dale
MacInnis, S.		 The Temperature Dependence of the Optical Properties of Liquid Toluene between 25 and 105oC 87th Canadian Society for Chemistry Conference and Exhibition May 2004 London
26 MacDonald, J.
Keefe, C. D.		 Optical Constants of Liquid Hexane at 25°C From 4000 to 400 cm‑1 2004 APICS/CIC Atlantic Student Chemistry Conference May 2004 Halifax, NS
25 Pearson, J. K.
Keefe, C. D.		 Theoretical Investigations of Protein Structure The 39th IUPAC Congress and 86th Conference of the Canadian Society for Chemistry August 2003 Ottawa
24 Keefe, C. D.
MacInnis, S.		 The Temperature Dependence of the Absolute Vibrational Intensities of Liquid Toluene 85th Canadian Society for Chemistry Conference and Exhibition  June 2002 Vancouver
23 Keefe, C. D.
MacInnis, S.
Burchell, T.		 Infrared Optical Constants and Integrated Intensities of Liquid Hexafluorobenzene 85th Canadian Society for Chemistry Conference and Exhibition June 2002 Vancouver
22 MacInnis, S.
Keefe, Dale		 Temperature Dependence of the Optical Quantities of Liquid Toluene 2002 APICS/CIC Atlantic Student Chemistry Conference May 2002 Corner Brook, NL
21 Pearson, J.
Keefe, C. D.
Pye, C.		 Absolute Integrated Absorption Intensities of Benzene: A Comparison of Experimental and Ab Initio Results 2002 APICS/CIC Atlantic Student Chemistry Conference May 2002 Corner Brook, NL
20 Keefe, C. Dale The Measurement and Study of the Absolute Absorption Intensities   March 25, 2002 St. Mary’s University
19 Keefe, C. D.
Donovan, L. A.
Fleet, S.
Pittman, J.		 Comparison of the dipole moment derivatives of bromobenzene and bromobenzene-d5 in the liquid phase CSC Conference and Exhibition May 2001 Montreal
18 Keefe, C. D. Restrictions on the lineshapes used to fit optical properties CSC Conference and Exhibition May 2001 Montreal
17 Pearson, J.
Keefe, C. D.		 The development of a new technique for determining the complex refractive index spectra of liquids 2001 APICS/CIC Atlantic Student Chemistry Conference May 2001  
16 Bertie, J. E.
Apelblat, Y.
Keefe, C. D.		 Infrared Optical Constants and Absolute Infrared Absorption Intensities of Liquid Benzene-d1 International Symposium on Molecular Spectroscopy June 14-18, 1999 Columbus, Ohio
15 Fleet, S. D.
Keefe, C. D.
Donovan, L. A.		 Vibrational Assignment and Dipole Moment Derivatives of liquid bromobenzene at 25°C 1999 Atlantic Student Chemistry Conference May 1999 UPEI
14 Bertie, J. E.
Keefe, C. D.		 The Quantitative Absorption Spectrum of Benzene and Benzene-D6 Accurately Described As the Sum of Classical Damped Harmonic Oscillator Bands 24th Federation of Analytical Chemistry and Spectroscopy Societies Conference October 1997 Providence, Rhode Island,
13 Bertie, J. E.
Keefe, C. D.
Zhang, S.		 The Imaginary Molar Polarizability. Why it is the Best Infrared Intensity Quantity for the Study of Liquids 79th Canadian Society for Chemistry Conference and Exhibition June 1996 St. John’s, Newfoundland,
12 Bertie, J. E.
Keefe, C. D.		 Infrared Absorption Intensities of Liquid C6H6, C6D6 and Their Mixtures 10th International Conference on Fourier Transform Spectroscopy August 1995 Budapest, Hungary
11 Bertie, J. E.
Keefe, C. D.		 Infrared Absorption Intensities of Liquid C6H6 and C6D6 50th International Symposium on Molecular Spectroscopy June 1995 Columbus, Ohio
10 Bertie, J. E.
Jones, R. N.
Keefe, C. D.
Apelblat, Y.
Lan, Z.		 Infrared Absorption Intensities of Neat Liquids Measured in Several Laboratories 50th International Symposium on Molecular Spectroscopy June 1995 Columbus, Ohio
9 Keefe, C. D.
Morin, M.
Revesz, E.		 Nonlinear Susceptibility of Au(110) Electrode Surfaces Measured by Second Harmonic Generation 78th Canadian Society for Chemistry Conference and Exhibition May 1995 Guelph, Ontario
8 Morin, M.
Keefe, C. D.
Revesz, E. 		Surface Reconstruction of a Au(110) Electrode in HClO4 Surface Canada May 1995 Waterloo, Ontario
7 Keefe, C. D. Absolute Infrared Absorption Intensities of Benzene Invited Speaker, Department of Chemistry February 1995 Memorial University of Newfoundland
6 Keefe, C. D.
Bertie, J. E.
Jones, R. N.
Apelblat, Y.		 Absolute Absorption Intensities of Liquids: The Determination of Secondary Infrared Absorption Intensity Standards; Absorption Intensities of Liquid Benzene, Chlorobenzene, and Toluene 9th International Conference on Fourier Transform Spectroscopy August 1993 Calgary, Alberta
5 Keefe, C. D.
Bertie, J. E.
Jones, R. N.
Apelblat, Y.		 Absolute Absorption Intensities of Liquids: The Use of Secondary Infrared Absorption Intensity Standards to Calibrate Transmission Cells 9th International Conference on Fourier Transform Spectroscopy August 1993 Calgary, Alberta
4 Keefe, C. D.
Bertie, J. E.
Jones, R. N.		 Absolute Absorption Intensities of Liquid Benzene: Between 5000 cm-1 and 800 cm-1. Comparison of Results From Different Laboratories and Potential Secondary Infrared Absorption Standards 75th Canadian Chemical Conference and Exhibition  June 1992 Edmonton, Alberta
3 Bertie, J. E.
Keefe, C. D.
Jones, R. N.		 Absolute Absorption Intensities of Liquids: Towards the Determination and Use of Secondary Infrared Absorption Intensity Standards; Absorption Intensities of Liquid Benzene 8th International Conference on Fourier Transform Spectroscopy August 1991 Lübeck, Germany
2

Keefe, C. D.
Bertie, J. E.
Jones, R. N.

 Absolute Absorption Intensities of Liquids: Towards the Determination and Use of Secondary Infrared Absorption Intensity Standards; Absorption Intensities of Liquid Benzene 74th Canadian Chemical Conference and Exhibition June 1991 Hamilton, Ontario
1 Keefe, C. D.
Poirier, R. A.		 Computational Developments in SCF Calculations 1990 Atlantic Chemical Institute of Canada Conference May 1990 Fredericton, New Brunswick