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51

Analytic SCF third and fourth derivatives with model potentials

Dylan Jayatilaka

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 725 KB

english, 1993

52

Fourier transforms of property densities with Gaussian functions

Dylan Jayatilaka

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 193 KB

english, 1991

53

Ab initio study of the cyclic isomers of N2S4

Graham S. Chandler, Dylan Jayatilaka, Magdalena Wajrak

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 824 KB

english, 1995

54

Computer-assisted optimization of the gas chromatographic separation of equine estrogens

Arya Jayatilaka, Colin F. Poole

Journal:

Journal of Chromatography B: Biomedical Sciences and Applications

Year:

1993

Language:

english

File:

PDF, 716 KB

english, 1993

55

The use of dipole lattice sums to estimate electric fields and dipole moment enhancement in molecular crystals

Mark A. Spackman, Parthapratim Munshi, Dylan Jayatilaka

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 204 KB

english, 2007

56

Comparison of semiempirical and ab initio QM decomposition analyses for the interaction energy between molecules

Peter L Cummins, Stephen J Titmuss, Dylan Jayatilaka, Andrey A Bliznyuk, Alistair P Rendell, Jill E Gready

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 88 KB

english, 2002

57

Optimal management of water movement in irrigation bays

L.D. Connell, M. Gilfedder, C. Jayatilaka, M. Bailey, J.-P. Vandervaere

Journal:

Environmental Modelling & Software

Year:

1998

Language:

english

File:

PDF, 379 KB

english, 1998

58

Higher analytic derivatives. I. A new implementation for the third derivative of the SCF energy

Susan M. Colwell, Dylan Jayatilaka, Paul E. Maslen, Roger D. Amos, Nicholas C. Handy

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 1002 KB

english, 1991

59

Applicability of Weibull analysis for brittle materials

K. Trustrum, A. De S. Jayatilaka

Journal:

Journal of Materials Science

Year:

1983

Language:

english

File:

PDF, 347 KB

english, 1983

60

On estimating the Weibull modulus for a brittle material

K. Trustrum, A. De S. Jayatilaka

Journal:

Journal of Materials Science

Year:

1979

Language:

english

File:

PDF, 349 KB

english, 1979

61

Application of a statistical method to brittle fracture in biaxial loading systems

A. De S. Jayatilaka, K. Trustrum

Journal:

Journal of Materials Science

Year:

1977

Language:

english

File:

PDF, 329 KB

english, 1977

62

Scanning electron microscopy of reaction-sintered silicon nitride

A. De S. Jayatilaka, T. F. Page, J. A. Leake

Journal:

Journal of Materials Science

Year:

1974

Language:

english

File:

PDF, 515 KB

english, 1974

63

A pilot plant for detoxification of aflatoxin B1-contaminated coconut oil by solar irradiation

U. Samarajeewa, C. L. V. Jayatilaka, A. Ranjithan, T. V. Gamage, S. N. Arseculeratne

Journal:

World Journal of Microbiology and Biotechnology

Year:

1985

Language:

english

File:

PDF, 893 KB

english, 1985

64

Distribution of copper ions in waste and potable waters in Sri Lanka Cities

C. B. Dissanayak, G. M. Jayatilaka

Journal:

Water, Air & Soil Pollution

Year:

1980

Language:

english

File:

PDF, 534 KB

english, 1980

65

Compression failures in brittle materials: relating observations to a theoretical model

A. de S. Jayatilaka, V. K. N. Nanayakkara

Journal:

Journal of Materials Science

Year:

1981

Language:

english

File:

PDF, 235 KB

english, 1981

66

A complement to “Some fundamental problems with zero flux partitioning of electron densities”

P. Cassam-Chenaï, D. Jayatilaka

Journal:

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

Year:

2002

Language:

english

File:

PDF, 68 KB

english, 2002

67

A definition for the covalent and ionic bond index in a molecule

Mark D. Gould, Christopher Taylor, Stephen K. Wolff, Graham S. Chandler, Dylan Jayatilaka

Journal:

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

Year:

2008

Language:

english

File:

PDF, 498 KB

english, 2008

68

Picture change error correction in the radial distributions of canonical orbital densities and total electron density of radon atom: the effect of the size of nucleus and the basis set limit

Lukáš Bučinský, Stanislav Biskupič, Dylan Jayatilaka

Journal:

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

Year:

2011

Language:

english

File:

PDF, 945 KB

english, 2011

69

Some fundamental problems with zero flux partitioning of electron densities

Patrick Cassam-Chenaï, Dylan Jayatilaka

Journal:

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

Year:

2001

Language:

english

File:

PDF, 145 KB

english, 2001

70

High-Throughput Sample Preparation for the Quantitation of Acephate, Methamidophos, Omethoate, Dimethoate, Ethylenethiourea, and Propylenethiourea in Human Urine Using 96-Well–Plate Automated Extraction and High-Performance Liquid Chromatography–Tandem Mass Spectrometry

Nayana K. Jayatilaka, M. Angela Montesano, Ralph D. Whitehead, Sara J. Schloth, Larry L. Needham, Dana Boyd Barr

Journal:

Archives of Environmental Contamination and Toxicology

Year:

2011

Language:

english

File:

PDF, 259 KB

english, 2011

71

Softlifting: Exploring Determinants of Attitude

Tim Goles, Bandula Jayatilaka, Beena George, Linda Parsons, Valrie Chambers, David Taylor, Rebecca Brune

Journal:

Journal of Business Ethics

Year:

2008

Language:

english

File:

PDF, 202 KB

english, 2008

72

Analytic second derivatives with model potentials at SCF and MP2 levels

Dylan Jayatilaka, Roger D. Amos, Nobuaki Koga

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 463 KB

english, 1989

73

Ab initio prediction of fundamental, overtone and combination band infrared intensities

William H. Green Jr., Andrew Willetts, Dylan Jayatilaka, Nicholas C. Handy

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 850 KB

english, 1990

74

Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities

William H. Miller, Rigoberto Hernandez, Nicholas C. Handy, Dylan Jayatilaka, Andrew Willetts

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 503 KB

english, 1990

75

The form of spin orbitals for open-shell restricted Hartree—Fock reference functions

Dylan Jayatilaka, Timothy J. Lee

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 810 KB

english, 1992

76

Method for measurement of the quaternary amine compounds paraquat and diquat in human urine using high-performance liquid chromatography–tandem mass spectrometry

Ralph D. Whitehead Jr., M. Angela Montesano, Nayana K. Jayatilaka, Brian Buckley, Bozena Winnik, Larry L. Needham, Dana Boyd Barr

Journal:

Journal of Chromatography B

Year:

2010

Language:

english

File:

PDF, 555 KB

english, 2010

77

Measurement of ethyl methanesulfonate in human plasma and breast milk samples using high-performance liquid chromatography–atmospheric pressure chemical ionization-tandem mass spectrometry

M. Angela Montesano, Ralph D. Whitehead Jr., Nayana K. Jayatilaka, Peter Kuklenyik, Mark D. Davis, Larry L. Needham, Dana Boyd Barr

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

2010

Language:

english

File:

PDF, 382 KB

english, 2010

78

SOCIAL ACCOUNTS FOR CEYLON

E. L. P. JAYATILAKA

Journal:

Bulletin of Economic Research

Year:

1953

Language:

english

File:

PDF, 2.38 MB

english, 1953

79

Corrigendum: 2007 highlights of advances in the pharmaceutical sciences: An American Association of Pharmaceutical Scientists (AAPS) perspective

Marilyn N. Martinez, Peter Bonate, Robert L. Chapman, Anne De Groot, Susan D'Souza, Naushad Ghilazi, Vivian Gray, Vishal K. Gupta, Kim Huynh-Ba, Sunil Iyer, Arya Jayatilaka, Amita Joshi, H. Thomas Kar

Journal:

The AAPS Journal

Year:

2007

File:

PDF, 484 KB

2007

80

2007 highlights of advances in the pharmaceutical sciences: An American Association of Pharmaceutical Scientists (AAPS) perspective

Marilyn N. Martinez, Peter Bonate, Robert L. Chapman, Anne De Groot, Susan D'Souza, Naushad Ghilazi, Vivian Gray, Vishal K. Gupta, Kim Huynh-Ba, Sunil Iyer, Arya Jayatilaka, Amita Joshi, H. Thomas Kar

Journal:

The AAPS Journal

Year:

2007

Language:

english

File:

PDF, 541 KB

english, 2007

81

Protection by Osbeckia aspera Against Carbon Tetrachloride-mediated Alterations in Microsomal Drug Metabolizing Enzyme Activity

K. A. P. W. JAYATILAKA, M. I. THABREW

Journal:

Journal of Pharmacy and Pharmacology

Year:

2000

Language:

english

File:

PDF, 71 KB

english, 2000

82

Protective effect of Asteracantha longifolia extract in mouse liver injury induced by carbon tetrachloride and paracetamol

R. P. Hewawasam, K. A. P. W. Jayatilaka, C. Pathirana, L. K. B. Mudduwa

Journal:

Journal of Pharmacy and Pharmacology

Year:

2003

Language:

english

File:

PDF, 593 KB

english, 2003

83

Die Bedeutung ionischer Bindungsanteile in Schwefeldioxid – Bindungsordnungen aus Röntgenbeugungsdaten

Dr. Simon Grabowsky, Prof. Dr. Peter Luger, Dr. Jürgen Buschmann, Dr. Thomas Schneider, Prof. Dr. Tanja Schirmeister, Dr. Alexandre N. Sobolev, Prof. Dylan Jayatilaka

Journal:

Angewandte Chemie

Year:

2012

Language:

german

File:

PDF, 1.26 MB

german, 2012

84

The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-ray Diffraction Data

Dr. Simon Grabowsky, Prof. Dr. Peter Luger, Dr. Jürgen Buschmann, Dr. Thomas Schneider, Prof. Dr. Tanja Schirmeister, Dr. Alexandre N. Sobolev, Prof. Dylan Jayatilaka

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 1.26 MB

english, 2012

85

Recommended management of common STIs in primary care

Nadi Jayatilaka, George Kinghorn

Journal:

Year:

2006

Language:

english

File:

PDF, 169 KB

english, 2006

86

Identification of petroleum distillates from fire debris using multidimensional gas chromatography

A. Jayatilaka, C. F. Poole

Journal:

Chromatographia

Year:

1994

Language:

english

File:

PDF, 824 KB

english, 1994

87

Study of the picture change error at the 2nd order Douglas Kroll Hess level of theory. Electron and spin density and structure factors of the Bis[bis(methoxycarbimido) aminato] copper (II) complex

Lukáš Bučinský, Stanislav Biskupič, Dylan Jayatilaka

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1004 KB

english, 2012

88

High Aspect-Ratio Coplanar Waveguide Wideband Bandpass Filter With Compact Unit Cells

Klymyshyn, D.M., Jayatilaka, H.C., Borner, M., Mohr, J.

Journal:

IEEE Transactions on Microwave Theory and Techniques

Year:

2009

Language:

english

File:

PDF, 2.69 MB

english, 2009

89

Higher analytic derivatives. II. The fourth derivative of self-consistent-field energy

Maslen, Paul E., Jayatilaka, Dylan, Colwell, Susan M., Amos, Roger D., Handy, Nicholas C.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1003 KB

english, 1991

90

ChemInform Abstract: The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-Ray Diffraction Data.

Simon Grabowsky, Peter Luger, Juergen Buschmann, Thomas Schneider, Tanja Schirmeister, Alexandre N. Sobolev, Dylan Jayatilaka

Journal:

Year:

2012

File:

PDF, 19 KB

2012

91

Two-dimensional high performance liquid chromatography separation and tandem mass spectrometry detection of atrazine and its metabolic and hydrolysis products in urine

Zsuzsanna Kuklenyik, Parinya Panuwet, Nayana K. Jayatilaka, James L. Pirkle, Antonia M. Calafat

Journal:

Journal of Chromatography B

Year:

2012

Language:

english

File:

PDF, 637 KB

english, 2012

92

Composite Tin and Zinc oxide nanocrystalline particles for enhanced charge separation in sensitized degradation of dyes

J. Bandara, K. Tennakone, P.P.B. Jayatilaka

Journal:

Year:

2002

Language:

english

File:

PDF, 200 KB

english, 2002

93

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

McKinnon, Joshua J., Jayatilaka, Dylan, Spackman, Mark A.

Journal:

Chemical Communications

Year:

2007

Language:

english

File:

PDF, 479 KB

english, 2007

94

Comparing entire crystal structures: structural genetic fingerprinting

Parkin, Andrew, Barr, Gordon, Dong, Wei, Gilmore, Christopher J., Jayatilaka, Dylan, McKinnon, Joshua J., Spackman, Mark A., Wilson, Chick C.

Journal:

Year:

2007

Language:

english

File:

PDF, 693 KB

english, 2007

95

Modeling flow and transport in irrigation catchments: 2. Spatial application of subcatchment model

Connell, L. D., Jayatilaka, C. J., Nathan, R.

Journal:

Water Resources Research

Year:

2001

Language:

english

File:

PDF, 1.39 MB

english, 2001

96

Modeling flow and transport in irrigation catchments: 1. Development and testing of subcatchment model

Connell, L. D., Jayatilaka, C., Gilfedder, M., Mein, R. G., Vandervaere, J. P.

Journal:

Water Resources Research

Year:

2001

Language:

english

File:

PDF, 1.82 MB

english, 2001

97

Compression failures in brittle materials: relating observations to a theoretical model

A. de S. Jayatilaka,V. K. N. Nanayakkara

Journal:

Journal of Materials Science

Year:

1981

Language:

english

File:

PDF, 235 KB

english, 1981

98

Mapping the Importance of Four Factors in Creating Monovalent Ion Selectivity in Biological Molecules

Thomas, Michael, Jayatilaka, Dylan, Corry, Ben

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 851 KB

english, 2011

99

A Model of the Open Pore MscL Based on Experimental Data and Restrained Coarse Grained Simulations

Deplazes, Evelyne, Jayatilaka, Dylan, Louhivuori, Martti, Marrink, Siewert-Jan, Corry, Ben

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 55 KB

english, 2012

100

A Flexible Approach to the Calculation of Resonance Energy Transfer Efficiency between Multiple Donors and Acceptors in Complex Geometries

Corry, Ben, Jayatilaka, Dylan, Rigby, Paul

Journal:

Biophysical Journal

Year:

2005

Language:

english

File:

PDF, 280 KB

english, 2005