Jan M.L. Martin

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Katkıda bulunan yazarlar

Amir KartonProfessor of Chemistry, Associate Dean of Research, University of New England (Twitter @Lab_initio)une.edu.au üzerinde doğrulanmış e-posta adresine sahip
A. Daniel BoeseUniversity of Grazuni-graz.at üzerinde doğrulanmış e-posta adresine sahip
Manoj Kumar KesharwaniInstitute for Theoretical Chemistry, University of Stuttgart, Germanytheochem.uni-stuttgart.de üzerinde doğrulanmış e-posta adresine sahip
David MilsteinWeizmann Institute of Scienceweizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip
Timothy J. LeeNASA Ames Research Centernasa.gov üzerinde doğrulanmış e-posta adresine sahip
Sebastian KozuchBen-Gurion University of the Negevbgu.ac.il üzerinde doğrulanmış e-posta adresine sahip
Mark IronComputational Chemistry Unit, Department of Chemical Research Support, Weizmann Institute of Scienceweizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip
Irena EfremenkoWeizmann Institute of Scienceweizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip
Linda ShimonHead, X-ray Crystallography Unit, Weizmann Institute of Scienceweizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip
Prof. Boris RybtchinskiWeizmann Institute of Scienceweizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip
Branko RuscicDistinguished Fellow, Argonne National Laboratory and Senior Fellow, The University of Chicagoanl.gov üzerinde doğrulanmış e-posta adresine sahip
Ronny NeumannWeizmann OR Casali OR Princetonweizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip
Attila G. CsászárProfessor of Chemistry, Eötvös Universityttk.elte.hu üzerinde doğrulanmış e-posta adresine sahip
Mark A RatnerNorthwestern Universitynorthwestern.edu üzerinde doğrulanmış e-posta adresine sahip
Olena V. ZenkinaAssociate Professor at Ontario Tech University, The University of Ontario Institute of Technologyontariotechu.ca üzerinde doğrulanmış e-posta adresine sahip
Anatoly I. FrenkelStony Brook Universitystonybrook.edu üzerinde doğrulanmış e-posta adresine sahip
Kirk A PetersonProfessor of Chemistry, Washington State Universitywsu.edu üzerinde doğrulanmış e-posta adresine sahip
Péter G. SzalayProfessor of Chemistry, ELTE Eötvös Loránd Universitychem.elte.hu üzerinde doğrulanmış e-posta adresine sahip
Phillip R. WestmorelandProfessor, Dept of Chemical and Biomolecular Engineering, North Carolina State Univncsu.edu üzerinde doğrulanmış e-posta adresine sahip
Frank NeeseMax Planck Institute für Kohlenforschungkofo.mpg.de üzerinde doğrulanmış e-posta adresine sahip

Takip et

Jan M.L. Martin

Weizmann OR NASA OR Texas OR Antwerp OR Jerusalem

weizmann.ac.il üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Computational chemistry catalysis thermochemistry density functional theory noncovalent interactions


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
Development of density functionals for thermochemical kinetics AD Boese, JML Martin The Journal of chemical physics 121 (8), 3405-3416, 2004	1714	2004
Correlation consistent valence basis sets for use with the Stuttgart–Dresden–Bonn relativistic effective core potentials: The atoms Ga–Kr and In–Xe JML Martin, A Sundermann The Journal of Chemical Physics 114 (8), 3408-3420, 2001	1619	2001
Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory JML Martin, G de Oliveira The Journal of chemical physics 111 (5), 1843-1856, 1999	1206	1999
Ab initio total atomization energies of small molecules—towards the basis set limit JML Martin Chemical physics letters 259 (5-6), 669-678, 1996	941	1996
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions A Karton, E Rabinovich, JML Martin, B Ruscic The Journal of chemical physics 125 (14), 2006	863	2006
Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust … A Karton, A Tarnopolsky, JF Lamére, GC Schatz, JML Martin The Journal of Physical Chemistry A 112 (50), 12868-12886, 2008	851	2008
Exploring the accuracy limits of local pair natural orbital coupled-cluster theory DG Liakos, M Sparta, MK Kesharwani, JML Martin, F Neese Journal of chemical theory and computation 11 (4), 1525-1539, 2015	713	2015
“Turning over” definitions in catalytic cycles S Kozuch, JML Martin Acs Catalysis 2 (12), 2787-2794, 2012	643	2012
Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided? MK Kesharwani, B Brauer, JML Martin The Journal of Physical Chemistry A 119 (9), 1701-1714, 2015	601	2015
W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range AD Boese, M Oren, O Atasoylu, JML Martin, M Kállay, J Gauss The Journal of chemical physics 120 (9), 4129-4141, 2004	554	2004
Halogen bonds: Benchmarks and theoretical analysis S Kozuch, JML Martin Journal of chemical theory and computation 9 (4), 1918-1931, 2013	547	2013
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities S Parthiban, JML Martin The Journal of Chemical Physics 114 (14), 6014-6029, 2001	541	2001
DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections S Kozuch, JML Martin Physical Chemistry Chemical Physics 13 (45), 20104-20107, 2011	540	2011
W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data A Karton, S Daon, JML Martin Chemical Physics Letters 510 (4-6), 165-178, 2011	483	2011
The anharmonic force field of ethylene, C₂H₄, by means of accurate ab initio calculations JML Martin, TJ Lee, PR Taylor, JP François The Journal of chemical physics 103 (7), 2589-2602, 1995	462	1995
Comment on:“Estimating the Hartree–Fock limit from finite basis set calculations”[Jensen F (2005) Theor Chem Acc 113: 267] A Karton, JML Martin Theoretical Chemistry Accounts 115 (4), 330-333, 2006	455	2006
Spin‐component‐scaled double hybrids: an extensive search for the best fifth‐rung functionals blending DFT and perturbation theory S Kozuch, JML Martin Journal of Computational Chemistry 34 (27), 2327-2344, 2013	415	2013
DSD-BLYP: A general purpose double hybrid density functional including spin component scaling and dispersion correction S Kozuch, D Gruzman, JML Martin The Journal of Physical Chemistry C 114 (48), 20801-20808, 2010	414	2010
Minimally empirical double-hybrid functionals trained against the GMTKN55 database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4 G Santra, N Sylvetsky, JML Martin The Journal of Physical Chemistry A 123 (24), 5129-5143, 2019	382	2019
IUPAC critical evaluation of thermochemical properties of selected radicals. Part I B Ruscic, JE Boggs, A Burcat, AG Császár, J Demaison, R Janoschek, ... Journal of physical and chemical reference data 34 (2), 573-656, 2005	350	2005

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