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51

A comparison of large-scale spatial vegetation patterns following clearcuts and fires in Ontario’s boreal forests

David Schroeder, Ajith H Perera

Journal:

Forest Ecology and Management

Year:

2002

Language:

english

File:

PDF, 368 KB

english, 2002

52

A coupled cluster study of the electronic spectroscopy and photochemistry of Cr(CO)6

Villaume, Sébastien, Strich, Alain, Daniel, Chantal, Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 715 KB

english, 2007

53

Hydrogen Bond Types, Binding Energies, and 1 H NMR Chemical Shifts

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 46 KB

english, 1999

54

Relativistic effects at the correlated level. An application to interhalogens

S. Ajith Perera, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 646 KB

english, 1993

55

Benchmark Studies on the Building Blocks of DNA. 3. Watson–Crick and Stacked Base Pairs

Szalay, Péter G., Watson, Thomas, Perera, Ajith, Lotrich, Victor, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 854 KB

english, 2013

56

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Predictive Quantum Chemistry: A Step Toward “Chemistry Without Test Tubes”

Perera, Ajith, Simos, Theodore E., Maroulis, George

Year:

2007

Language:

english

File:

PDF, 863 KB

english, 2007

57

A Crossed Molecular Beam and Ab-Initio Investigation of the Reaction of Boron Monoxide (BO; X 2 Σ + ) with Methylacetylene (CH 3 CCH; X 1 A 1 ): Competing Atomic Hydrogen and Methyl Loss Pathways

Maity, Surajit, Parker, Dorian S. N., Dangi, Beni B., Kaiser, Ralf I., Fau, Stefan, Perera, Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.10 MB

english, 2013

58

Multireference coupled-cluster theory: The easy way

Musiał, Monika, Perera, Ajith, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 616 KB

english, 2011

59

Predicted NMR Coupling Constants Across Hydrogen Bonds: A Fingerprint for Specifying Hydrogen Bond Type?

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 27 KB

english, 2000

60

Molecular dynamics simulation of potential sputtering on a LiF surface by slow highly charged ions

Wang, Lin-Lin, Perera, Ajith, Cheng, Hai-Ping

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 649 KB

english, 2003

61

A theoretical study of hyperfine coupling constants

Perera, S. Ajith, Watts, John D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.07 MB

english, 1994

62

Two-Bond 13 C− 15 N Spin−Spin Coupling Constants ( 2hJ C-N ) Across C−H−N Hydrogen Bonds †

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Yañez, Manuel, Mó, Otilia, Elguero, José, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 78 KB

english, 2003

63

One-Bond ( 1dJ H-H ) and Three-Bond ( 3dJ X-M ) Spin−Spin Coupling Constants Across X−H···H−M Dihydrogen Bonds

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Alkorta, Ibon, Elguero, José, Mó, Otilia, Yáñez, Manuel

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

64

[IEEE 2006 IEEE International Conference on Web Services (ICWS'06) - Chicago, IL, USA (2006.09.18-2006.09.22)] 2006 IEEE International Conference on Web Services (ICWS'06) - Axis2, Middleware for Next Generation Web Services

Perera, Srinath, Herath, Chathura, Ekanayake, Jaliya, Chinthaka, Eran, Ranabahu, Ajith, Jayasinghe, Deepal, Weerawarana, Sanjiva, Daniels, Glen

Year:

2006

Language:

english

File:

PDF, 209 KB

english, 2006

65

[Advances in Quantum Chemistry] Energetic Materials Volume 69 || Geometric Metastability in Molecules as a Way to Enhance Energy Storage

Year:

2014

Language:

english

File:

PDF, 761 KB

english, 2014

66

Quantum chemical study of the electronic structure of NiCH[sub 2][sup +] in its ground state and low-lying electronic excited states

Villaume, Sébastien, Daniel, Chantal, Strich, Alain, Perera, S. Ajith, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 307 KB

english, 2005

67

A baseline study of Kandyan Forest Gardens of Sri Lanka: Structure, composition and utilization

Perera, Ajith H., Rajapakse, R.M.Neville

Journal:

Forest Ecology and Management

Year:

1991

Language:

english

File:

PDF, 591 KB

english, 1991

68

Theoretical study of low-lying excited states of HSX (X=F, Cl, Br, I)

Chen, Hengjie, Perera, Ajith, Watson, Thomas, Bartlett, Rodney J.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 288 KB

english, 2014

69

Post-fire recovery of 10-year-old Pinus caribaea var. hondurensis in a hilly watershed in Sri Lanka

Perera, Ajith H.

Journal:

Forest Ecology and Management

Year:

1989

Language:

english

File:

PDF, 215 KB

english, 1989

70

Benchmarking for Perturbative Triple-Excitations in EE-EOM-CC Methods

Watson, Thomas J., Lotrich, Victor F., Szalay, Peter G., Perera, Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 914 KB

english, 2013

71

Singlet–triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods

Perera, Ajith, Molt, Robert W., Lotrich, Victor F., Bartlett, Rodney J.

Journal:

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

Year:

2014

Language:

english

File:

PDF, 438 KB

english, 2014

72

Comparison of CIS- and EOM-CCSD-Calculated Adiabatic Excited-State Structures. Changes in Charge Density on Going to Adiabatic Excited States

Wiberg, Kenneth B., Wang, Yi-gui, de Oliveira, Anselmo E., Perera, S. Ajith, Vaccaro, Patrick H.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 1.54 MB

english, 2005

73

NMR Spin−Spin Coupling Constants for Hydrogen Bonds of [F(HF) n ] - , n = 1−4, Clusters

Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 24 KB

english, 2000

74

Benchmark Studies on the Building Blocks of DNA. 2. Effect of Biological Environment on the Electronic Excitation Spectrum of Nucleobases

Szalay, Péter G., Watson, Thomas, Perera, Ajith, Lotrich, Victor, Fogarasi, Géza, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.47 MB

english, 2012

75

Transition metal atomic multiplet states through the lens of single-reference coupled-cluster and the equation-of-motion coupled-cluster methods

Varun Rishi,Ajith Perera,Rodney Bartlett

Journal:

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

Year:

2014

Language:

english

File:

PDF, 278 KB

english, 2014

76

Accuracy of discontinuous binary surfaces: a case study using boreal forest fires

Remmel, Tarmo K., Perera, Ajith H.

Journal:

International Journal of Geographical Information Science

Year:

2002

Language:

english

File:

PDF, 241 KB

english, 2002

77

HNNC Radical and Its Role in the CH + N 2 Reaction †

Berman, Michael R., Tsuchiya, Takashi, Gregušová, Adriana, Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 308 KB

english, 2007

78

3hJ ( 15 N− 31 P) Spin−Spin Coupling Constants across N−H···O−P Hydrogen Bonds

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Elguero, José, Alkorta, Ibon, López-Leonardo, Carmen, Alajarin, Mateo

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 60 KB

english, 2002

79

Stabilization of the Pseudo-Benzene N 6 Ring with Oxygen

Wilson, Kenneth J., Perera, S. Ajith, Bartlett, Rodney J., Watts, John D.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 201 KB

english, 2001

80

Gas-Phase Synthesis of Boronylallene (H 2 CCCH(BO)) under Single Collision Conditions: A Crossed Molecular Beams and Computational Study

Maity, Surajit, Parker, Dorian S. N., Kaiser, Ralf I., Ganoe, Brad, Fau, Stefan, Perera, Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 5.77 MB

english, 2014

81

On the Directed Gas Phase Synthesis of the Imidoborane Molecule (HNBH) — An Isoelectronic Molecule of Acetylene (HCCH)

Zhang, Fangtong, Maksyutenko, Pavlo, Kaiser, Ralf I., Mebel, Alexander M., Gregušová, Adriana, Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.11 MB

english, 2010

82

Structure and NMR Spectra of the 2-Norbornyl Carbocation: Prediction of 1J ( 13 C 13 C) for the Bridged, Pentacoordinate Carbon Atom

Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 65 KB

english, 1996

83

First Calculations of 15 N− 15 N J Values and New Calculations of Chemical Shifts for High Nitrogen Systems: A Comment on the Long Search for HN 5 and Its Pentazole Anion

Perera, S. Ajith, Gregušová, Adriana, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 457 KB

english, 2009

84

Two-Bond 19 F− 15 N Spin−Spin Coupling Constants ( 2hJ F-N ) across F−H···N Hydrogen Bonds

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Yáñez, Manuel, Mó, Otilia, Elguero, José, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 60 KB

english, 2003

85

Vibrational Effects on the F−F Spin−Spin Coupling Constant ( 2hJ F-F ) in FHF - and FDF -

Del Bene, Janet E., Jordan, Meredith J. T., Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 54 KB

english, 2001

86

Two-Bond 15 N− 19 F Spin−Spin Coupling Constants ( 2hJ N-F ) across N−H + ...F Hydrogen Bonds

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Yáñez, Manuel, Mó, Otilia, Elguero, José, Alkorta, Ibon

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 81 KB

english, 2003

87

4hJ ( 31 P− 31 P) Coupling Constants through N−H + −N Hydrogen Bonds: A Comparsion of Computed ab Initio and Experimental Data

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J., Alkorta, Ibon, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 25 KB

english, 2000

88

Predicted NMR Spectra for Ethyl Carbocations: A Fingerprint for Nonclassical Hydrogen-Bridged Structures

Perera, S. Ajith, Bartlett, Rodney J., Schleyer, Paul von R.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 292 KB

english, 1995

89

What Parameters Determine N−N and O−O Coupling Constants ( 2hJ X-X ) Across X−H + −X Hydrogen Bonds?

Del Bene, Janet E., Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 55 KB

english, 2001

90

Structure, Spectra, and Rearrangement Mechanism of PH 2 F 3 : Revisiting a Classic Problem in Structural Inorganic Chemistry

Villaume, Sébastien, Strich, Alain, Perera, S. Ajith, Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 179 KB

english, 2007

91

Ab initio simulation of UV/vis absorption spectra for atmospheric modeling: method design for medium-sized molecules

Melnichuk, Anna, Perera, Ajith, Bartlett, Rodney J.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.36 MB

english, 2010

92

Spatial variability of stand-scale residuals in Ontario’s boreal forest fires

Perera, Ajith H., Dalziel, Benjamin D., Buse, Lisa J., Routledge, Robert G.

Journal:

Canadian Journal of Forest Research

Year:

2009

Language:

english

File:

PDF, 975 KB

english, 2009

93

What made possible the accurate calculations of NMR spin–spin coupling constants?

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 234 KB

english, 2010

94

Improving the performance of direct coupled cluster analytical gradients algorithms

Perera *, S. Ajith, Rozyczko, Piotr B., Bartlett, Rodney J, Hirata, So

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 109 KB

english, 2005

95

Coupled-cluster calculations of indirect nuclear coupling constants: The importance of non-Fermi contact contributions

Perera, S. Ajith, Sekino, Hideo, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 756 KB

english, 1994

96

Correlated calculations of molecular dynamic polarizabilities

Rozyczko, Piotr B., Perera, S. Ajith, Nooijen, Marcel, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 449 KB

english, 1997

97

[IEEE 2013 IEEE 8th International Conference on Industrial and Information Systems (ICIIS) - Peradeniya, Sri Lanka (2013.12.17-2013.12.20)] 2013 IEEE 8th International Conference on Industrial and Information Systems - Vee-Bissa: The agricultural decision support system

Somawardhana, W. D. R., Deegala, G. A., Fernando, I. A. N., Dassanayake, G. C., Haddela, P. S., Perera, Ajith

Year:

2013

Language:

english

File:

PDF, 745 KB

english, 2013

98

Hyperfine coupling constants of organic radicals

Perera, S. Ajith, Salemi, Lynn M., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 351 KB

english, 1997

99

Critical comparison of single-reference and multireference coupled-cluster methods: Geometry, harmonic frequencies, and excitation energies of N[sub 2]O[sub 2]

Tobita, Motoi, Perera, S. Ajith, Musial, Monika, Bartlett, Rodney J., Nooijen, Marcel, Lee, Jae Shin

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 342 KB

english, 2003

100

Electron correlation effects on the theoretical calculation of nuclear magnetic resonance spin–spin coupling constants

Perera, S. Ajith, Nooijen, Marcel, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 478 KB

english, 1996