Timothy J. Lee

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Xinchuan HuangSETI Institute / NASA Ames Research CenterVerifisert e-postadresse på nasa.gov
Julia E RiceIBMVerifisert e-postadresse på us.ibm.com
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaVerifisert e-postadresse på uga.edu
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerifisert e-postadresse på cchem.berkeley.edu
Dr Partha P BeraNASA Ames Research Center and Bay Area Environmental Research InstituteVerifisert e-postadresse på nasa.gov
Jan M.L. MartinWeizmann OR NASA OR Texas OR Antwerp OR JerusalemVerifisert e-postadresse på weizmann.ac.il
Alistair RendellExecutive Dean, College of Science and Engineering, Flinders UniversityVerifisert e-postadresse på flinders.edu.au
T. Daniel CrawfordProfessor of Chemistry, Virginia TechVerifisert e-postadresse på vt.edu
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringVerifisert e-postadresse på rice.edu
Cameron J. MackieLawrence Berkeley National LabVerifisert e-postadresse på lbl.gov
Alessandra CandianAnton Pannekoek Institute for Astronomy, University of Amsterdam (NL)Verifisert e-postadresse på uva.nl
Wybren Jan BumaVerifisert e-postadresse på uva.nl
Joel BowmanProfessor of Chemistry, Emory UniversityVerifisert e-postadresse på emory.edu
Jos OomensRadboud UniversityVerifisert e-postadresse på science.ru.nl
Annemieke PetrignaniAssistent Professor, University of AmsterdamVerifisert e-postadresse på uva.nl
Scott SandfordNASA Ames Research CenterVerifisert e-postadresse på nasa.gov
Michel NuevoResearch AST, Planetary Studies, NASA Ames Research CenterVerifisert e-postadresse på nasa.gov
Dylan JayatilakaUniversity of Western AustraliaVerifisert e-postadresse på uwa.edu.au
Roger AmosAustralian National UniversityVerifisert e-postadresse på anu.edu.au
Roland LindhProfessor in Theoretical Chemistry, Uppsala University, SwedenVerifisert e-postadresse på kemi.uu.se

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Timothy J. Lee

NASA Ames Research Center

Verifisert e-postadresse på nasa.gov - Startside

chemistry physics astrochemistry theoretical chemistry spectroscopy


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
A diagnostic for determining the quality of single‐reference electron correlation methods TJ Lee, PR Taylor International Journal of Quantum Chemistry 36 (S23), 199-207, 1989	1510	1989
The HITRAN2020 molecular spectroscopic database IE Gordon, LS Rothman, RJ Hargreaves, R Hashemi, EV Karlovets, ... Journal of quantitative spectroscopy and radiative transfer 277, 107949, 2022	1484	2022
Taylor, P. R TJ Lee Int. J. Quantum Chem. Symp, 199, 1989	932	1989
A doubles correction to electronic excited states from configuration interaction in the space of single substitutions M Head-Gordon, RJ Rico, M Oumi, TJ Lee Chemical Physics Letters 219 (1-2), 21-29, 1994	830	1994
Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application AC Scheiner, GE Scuseria, JE Rice, TJ Lee, HF Schaefer III The Journal of chemical physics 87 (9), 5361-5373, 1987	487	1987
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	451	1995
The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results GE Scuseria, AC Scheiner, TJ Lee, JE Rice, HF Schaefer III The Journal of chemical physics 86 (5), 2881-2890, 1987	439	1987
Comparison of coupled‐cluster methods which include the effects of connected triple excitations GE Scuseria, TJ Lee The Journal of chemical physics 93 (8), 5851-5855, 1990	426	1990
Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)₂ and FNNF and the … TJ Lee, JE Rice, GE Scuseria, HF Schaefer Theoretica chimica acta 75, 81-98, 1989	381	1989
Comparison of the quadratic configuration interaction and coupled-cluster approaches to electron correlation including the effect of triple excitations TJ Lee, AP Rendell, PR Taylor Journal of Physical Chemistry 94 (14), 5463-5468, 1990	361	1990
Formulation and implementation of a relativistic unrestricted coupled‐cluster method including noniterative connected triples L Visscher, TJ Lee, KG Dyall The Journal of chemical physics 105 (19), 8769-8776, 1996	348	1996
Systematic study of molecular anions within the self‐consistent‐field approximation: OH−, CN−, C2H−, NH− 2, and CH− 3 TJ Lee, HF Schaefer The Journal of chemical physics 83 (4), 1784-1794, 1985	341	1985
The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S₃ molecule JE Rice, RD Amos, NC Handy, TJ Lee, HF Schaefer III The Journal of chemical physics 85 (2), 963-968, 1986	332	1986
An accurate ab initio quartic force field and vibrational frequencies for CH4 and isotopomers TJ Lee, JML Martin, PR Taylor The Journal of chemical physics 102 (1), 254-261, 1995	268	1995
Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene S Hirata, TJ Lee, M Head-Gordon The Journal of chemical physics 111 (19), 8904-8912, 1999	252	1999
Comparison of the T1 and D1 diagnostics for electronic structure theory: a new definition for the open-shell D1 diagnostic TJ Lee Chemical physics letters 372 (3-4), 362-367, 2003	249	2003
Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks AP Rendell, TJ Lee The Journal of chemical physics 101 (1), 400-408, 1994	227	1994
Open‐shell coupled‐cluster theory D Jayatilaka, TJ Lee The Journal of chemical physics 98 (12), 9734-9747, 1993	223	1993
On the necessity of f basis functions for bending frequencies ED Simandiras, JE Rice, TJ Lee, RD Amos, NC Handy The Journal of chemical physics 88 (5), 3187-3195, 1988	217	1988
Analytic gradients for coupled‐cluster energies that include noniterative connected triple excitations: Application to cis‐ and trans‐HONO TJ Lee, AP Rendell The Journal of chemical physics 94 (9), 6229-6236, 1991	212	1991

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