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Martin, Jan ML
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ResearcherID: A-7457-2008
Other Names: Gershom Martin; Gershom (Jan) Martin
URL: http://www.researcherid.com/rid/A-7457-2008
Subject: Chemistry
Keywords: computational chemistry; thermochemistry; density functionals; ab initio electronic structure; catalysis
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Department of Organic Chemistry; Kimmel Center for Molecular Design; Lise Meitner-Minerva Center for Computational Quantum Chemistry
Role:
Description:
 

Publications

My Publications (235)

 
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publication(s)  
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1. Title: Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe
Author(s): MARTIN, JML; SUNDERMANN, A
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 114 Issue: 8 Pages: 3408-3420 Published: FEB 22 2001
Times Cited: 440
added
08-Jan-09
2. Title: Towards standard methods for benchmark quality ab initio thermochemistry - W1 and W2 theory
Author(s): MARTIN, JML; DE OLIVEIRA, G
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 111 Issue: 5 Pages: 1843-1856 Published: AUG 1 1999
Times Cited: 371
added
08-Jan-09
3. Title: Ab initio total atomization energies of small molecules - Towards the basis set limit
Author(s): MARTIN, JML
Source: CHEMICAL PHYSICS LETTERS Volume: 259 Issue: 5-6 Pages: 669-678 Published: SEP 13 1996
Times Cited: 306
added
08-Jan-09
4. Title: Development of density functionals for thermochemical kinetics
Author(s): BOESE, AD; MARTIN, JML
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 121 Issue: 8 Pages: 3405-3416 Published: AUG 22 2004
Times Cited: 248
DOI: 10.1063/1.1774975
added
08-Jan-09
5. Title: Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities
Author(s): PARTHIBAN, S; MARTIN, JML
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 114 Issue: 14 Pages: 6014-6029 Published: APR 8 2001
Times Cited: 162
added
08-Jan-09
6. Title: STRUCTURE AND VIBRATIONAL-SPECTRA OF CARBON CLUSTERS C-N (N=2-10, 12, 14, 16, 18) USING DENSITY-FUNCTIONAL THEORY INCLUDING EXACT EXCHANGE CONTRIBUTIONS
Author(s): MARTIN, JML; ELYAZAL, J; FRANCOIS, JP
Source: CHEMICAL PHYSICS LETTERS Volume: 242 Issue: 6 Pages: 570-579 Published: SEP 1 1995
Times Cited: 156
added
08-Jan-09
7. Title: W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range
Author(s): BOESE, AD; OREN, M; ATASOYLU, O; et al.
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 120 Issue: 9 Pages: 4129-4141 Published: MAR 1 2004
Times Cited: 147
DOI: 10.1063/1.1638736
added
08-Jan-09
8. Title: Basis set convergence and performance of density functional theory including exact exchange contributions for geometries and harmonic frequencies
Author(s): MARTIN, JML
Source: MOLECULAR PHYSICS Volume: 86 Issue: 6 Pages: 1437-1450 Published: DEC 20 1995
Times Cited: 128
added
08-Jan-09
9. Title: IUPAC critical evaluation of thermochemical properties of selected radicals. Part I
Author(s): RUSCIC, B; BOGGS, JE; BURCAT, A; et al.
Source: JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA Volume: 34 Issue: 2 Pages: 573-656 Published: JUN 2005
Times Cited: 126
DOI: 10.1063/1.1724828
added
08-Jan-09
10. Title: THE ANHARMONIC-FORCE FIELD OF ETHYLENE, C2H4, BY MEANS OF ACCURATE AB-INITIO CALCULATIONS
Author(s): MARTIN, JML; LEE, TJ; TAYLOR, PR; et al.
Source: JOURNAL OF CHEMICAL PHYSICS Volume: 103 Issue: 7 Pages: 2589-2602 Published: AUG 15 1995
Times Cited: 123
added
08-Jan-09
publication(s)  
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