Larry A. Curtiss

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Rajeev S. AssaryGroup Leader/Scientist, Molecular Materials, Materials Science Division, Argonne National LaboratoryVerifisert e-postadresse på anl.gov
Peter ZapolArgonne National LaboratoryVerifisert e-postadresse på anl.gov
Khalil AmineArgonne National Laboratory , Stanford UniversityVerifisert e-postadresse på anl.gov
Kah Chun LauAssociate Professor, Department of Physics and Astronomy, California State University NorthridgeVerifisert e-postadresse på csun.edu
Jeffrey GreeleyPurdue UniversityVerifisert e-postadresse på purdue.edu
Lei ChengOak Ridge National LaboratoryVerifisert e-postadresse på ornl.gov
Jun LuZhejiang UniversityVerifisert e-postadresse på zju.edu.cn
Cong LiuStaff Scientist, Argonne National LaboratoryVerifisert e-postadresse på anl.gov
Zhengcheng ZhangArgonne National LaboratoryVerifisert e-postadresse på anl.gov
Jeffrey ElamSenior Chemist, Argonne National LaboratoryVerifisert e-postadresse på anl.gov
FRANK WEINHOLDProfessor (Emeritus) of Chemistry, University of Wisconsin-MadisonVerifisert e-postadresse på wisc.edu
Michael J. PellinArgonne Distinguished Fellow, Argonne National LaboratoryVerifisert e-postadresse på anl.gov
Peter StairProfessor of Chemistry, Northwestern UniversityVerifisert e-postadresse på northwestern.edu
Vitaly Rassolovprofessor of Chemistry, University of South CarolinaVerifisert e-postadresse på mailbox.sc.edu
Randall E WinansSenior Scientist, Argonne National LaboratoryVerifisert e-postadresse på anl.gov
Mark A RatnerNorthwestern UniversityVerifisert e-postadresse på northwestern.edu
Amin Salehi-KhojinInaugural William T. Solomon Chair of Mechanical Engineering, Department Chair, SMU

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Larry A. Curtiss

Argonne National Laboratory

Verifisert e-postadresse på anl.gov - Startside

computational chemistry materials chemistry


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint AE Reed, LA Curtiss, F Weinhold Chemical Reviews 88 (6), 899-926, 1988	18914	1988
Gaussian‐2 theory for molecular energies of first‐and second‐row compounds LA Curtiss, K Raghavachari, GW Trucks, JA Pople The Journal of chemical physics 94 (11), 7221-7230, 1991	4178	1991
Gaussian-3 (G3) theory for molecules containing first and second-row atoms LA Curtiss, K Raghavachari, PC Redfern, V Rassolov, JA Pople The Journal of chemical physics 109 (18), 7764-7776, 1998	3408	1998
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation LA Curtiss, K Raghavachari, PC Redfern, JA Pople The Journal of Chemical Physics 106 (3), 1063-1079, 1997	2664	1997
6‐31G* basis set for third‐row atoms VA Rassolov, MA Ratner, JA Pople, PC Redfern, LA Curtiss Journal of Computational Chemistry 22 (9), 976-984, 2001	2573	2001
Gaussian-4 theory LA Curtiss, PC Redfern, K Raghavachari The Journal of chemical physics 126 (8), 2007	2308	2007
Gaussian-3 theory using density functional geometries and zero-point energies AG Baboul, LA Curtiss, PC Redfern, K Raghavachari The Journal of chemical physics 110 (16), 7650-7657, 1999	2001	1999
Gaussian‐1 theory: A general procedure for prediction of molecular energies JA Pople, M Head‐Gordon, DJ Fox, K Raghavachari, LA Curtiss The Journal of Chemical Physics 90 (10), 5622-5629, 1989	1995	1989
Gaussian‐2 theory using reduced Mo/ller–Plesset orders LA Curtiss, K Raghavachari, JA Pople The Journal of chemical physics 98 (2), 1293-1298, 1993	1442	1993
Gaussian-3 theory using reduced Mo/ller-Plesset order LA Curtiss, PC Redfern, K Raghavachari, V Rassolov, JA Pople The Journal of chemical physics 110 (10), 4703-4709, 1999	1436	1999
Compact contracted basis sets for third‐row atoms: Ga–Kr RC Binning Jr, LA Curtiss Journal of Computational Chemistry 11 (10), 1206-1216, 1990	1380	1990
Extension of Gaussian‐2 theory to molecules containing third‐row atoms Ga–Kr LA Curtiss, MP McGrath, JP Blaudeau, NE Davis, RC Binning Jr, L Radom The Journal of Chemical Physics 103 (14), 6104-6113, 1995	1308	1995
Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca JP Blaudeau, MP McGrath, LA Curtiss, L Radom The Journal of chemical physics 107 (13), 5016-5021, 1997	1084	1997
Gaussian‐1 theory of molecular energies for second‐row compounds LA Curtiss, C Jones, GW Trucks, K Raghavachari, JA Pople The Journal of Chemical Physics 93 (4), 2537-2545, 1990	972	1990
Increased silver activity for direct propylene epoxidation via subnanometer size effects Y Lei, F Mehmood, S Lee, J Greeley, B Lee, S Seifert, RE Winans, ... Science 328 (5975), 224-228, 2010	948	2010
Nanostructured transition metal dichalcogenide electrocatalysts for CO2 reduction in ionic liquid M Asadi, K Kim, C Liu, AV Addepalli, P Abbasi, P Yasaei, P Phillips, ... Science 353 (6298), 467-470, 2016	942	2016
Studies of molecular association in H₂O and D₂O vapors by measurement of thermal conductivity LA Curtiss, DJ Frurip, M Blander The Journal of Chemical Physics 71 (6), 2703-2711, 1979	921	1979
Assessment of Gaussian-3 and density functional theories for a larger experimental test set LA Curtiss, K Raghavachari, PC Redfern, JA Pople The Journal of chemical physics 112 (17), 7374-7383, 2000	891	2000
Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane S Vajda, MJ Pellin, JP Greeley, CL Marshall, LA Curtiss, GA Ballentine, ... Nature materials 8 (3), 213-216, 2009	865	2009
Gaussian-4 theory using reduced order perturbation theory LA Curtiss, PC Redfern, K Raghavachari The Journal of chemical physics 127 (12), 2007	812	2007

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