Year |
Citation |
Score |
2022 |
Breslin JM, Frisch MJ, Petersson GA. Improved Geometries and Frequencies with the PFD-3B DFT Method. The Journal of Physical Chemistry. A. PMID 35998668 DOI: 10.1021/acs.jpca.2c03401 |
0.324 |
|
2022 |
Zulueta B, Tulyani SV, Westmoreland PR, Frisch MJ, Petersson EJ, Petersson GA, Keith JA. A Bond-Energy/Bond-Order and Populations Relationship. Journal of Chemical Theory and Computation. PMID 35849729 DOI: 10.1021/acs.jctc.2c00334 |
0.766 |
|
2020 |
Petersson GA, Frisch MJ, Dobek F, Zulueta B. Three-Body Dispersion Corrections to the Spherical Atom Model: The PFD-3B Density Functional. The Journal of Physical Chemistry. A. PMID 33232148 DOI: 10.1021/acs.jpca.0c05940 |
0.354 |
|
2015 |
Ranasinghe DS, Frisch MJ, Petersson GA. A density functional for core-valence correlation energy. The Journal of Chemical Physics. 143: 214111. PMID 26646873 DOI: 10.1063/1.4935973 |
0.79 |
|
2015 |
Ranasinghe DS, Frisch MJ, Petersson GA. Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar. The Journal of Chemical Physics. 143: 214110. PMID 26646872 DOI: 10.1063/1.4935972 |
0.764 |
|
2014 |
Wiberg KB, Petersson GA. A computational study of RXHn X-H bond dissociation enthalpies. The Journal of Physical Chemistry. A. 118: 2353-9. PMID 24601787 DOI: 10.1021/Jp500035M |
0.348 |
|
2013 |
Ranasinghe DS, Petersson GA. CCSD(T)/CBS atomic and molecular benchmarks for H through Ar. The Journal of Chemical Physics. 138: 144104. PMID 24981525 DOI: 10.1063/1.4798707 |
0.787 |
|
2013 |
Dobek FJ, Ranasinghe DS, Throssell K, Petersson GA. Evaluation of the heats of formation of corannulene and C60 by means of inexpensive theoretical procedures. The Journal of Physical Chemistry. A. 117: 4726-30. PMID 23675698 DOI: 10.1021/Jp404158V |
0.73 |
|
2013 |
Wiberg KB, Ellison GB, McBride JM, Petersson GA. Substituent effects on O-H bond dissociation enthalpies: a computational study. The Journal of Physical Chemistry. A. 117: 213-8. PMID 23206233 DOI: 10.1021/Jp310510Y |
0.352 |
|
2013 |
Ranasinghe DS, Petersson GA. CCSD(T)CBS atomic and molecular benchmarks for H through Ar Journal of Chemical Physics. 138. DOI: 10.1063/1.4798707 |
0.717 |
|
2013 |
Dobek FJ, Ranasinghe DS, Throssell K, Petersson GA. Evaluation of the heats of formation of corannulene and C60 by means of inexpensive theoretical procedures Journal of Physical Chemistry A. 117: 4726-4730. DOI: 10.1021/jp404158v |
0.676 |
|
2012 |
Austin A, Petersson GA, Frisch MJ, Dobek FJ, Scalmani G, Throssell K. A Density Functional with Spherical Atom Dispersion Terms. Journal of Chemical Theory and Computation. 8: 4989-5007. PMID 26593191 DOI: 10.1021/Ct300778E |
0.667 |
|
2012 |
Austin A, Petersson GA, Frisch MJ, Dobek FJ, Scalmani G, Throssell K. A density functional with spherical atom dispersion terms Journal of Chemical Theory and Computation. 8: 4989-5007. DOI: 10.1021/ct300778e |
0.558 |
|
2011 |
Wiberg KB, Bailey WF, Petersson GA. Computational study of the properties and reactions of small molecules containing O, S, and Se. The Journal of Physical Chemistry. A. 115: 12624-30. PMID 21692494 DOI: 10.1021/Jp2031994 |
0.331 |
|
2010 |
Barnes EC, Petersson GA. MP2/CBS atomic and molecular benchmarks for H through Ar. The Journal of Chemical Physics. 132: 114111. PMID 20331285 DOI: 10.1063/1.3317476 |
0.731 |
|
2010 |
Barnes EC, Petersson GA. MP2/CBS atomic and molecular benchmarks for H through Ar Journal of Chemical Physics. 132. DOI: 10.1063/1.3317476 |
0.659 |
|
2009 |
Barnes EC, Petersson GA, Montgomery JA, Frisch MJ, Martin JM. Unrestricted Coupled Cluster and Brueckner Doubles Variations of W1 Theory. Journal of Chemical Theory and Computation. 5: 2687-93. PMID 26631782 DOI: 10.1021/Ct900260G |
0.72 |
|
2009 |
Wiberg KB, Wang YG, Petersson GA, Bailey WF. Intramolecular Nonbonded Attractive Interactions: 1-Substituted Propenes. Journal of Chemical Theory and Computation. 5: 1033-1037. PMID 26609612 DOI: 10.1021/Ct900059E |
0.33 |
|
2009 |
Barnes EC, Petersson GA, Montgomery JA, Frisch MJ, Martin JML. Unrestricted coupled cluster and Brueckner doubles variations of W1 theory Journal of Chemical Theory and Computation. 5: 2687-2693. DOI: 10.1021/ct900260g |
0.614 |
|
2009 |
Petersson GA, Nyden MR, Chupka JT, Ryan PB, Todd HD. The pairwise-correlated generalized valence bond model of electronic structure. V. A multiconfiguration overlap approximation for gvb pair energies International Journal of Quantum Chemistry. 14: 201-218. DOI: 10.1002/Qua.560140816 |
0.439 |
|
2008 |
Zhong S, Barnes EC, Petersson GA. Uniformly convergent n-tuple-zeta augmented polarized (nZaP) basis sets for complete basis set extrapolations. I. Self-consistent field energies. The Journal of Chemical Physics. 129: 184116. PMID 19045395 DOI: 10.1063/1.3009651 |
0.739 |
|
2008 |
Barnes EC, Petersson GA, Feller D, Peterson KA. The CCSD(T) complete basis set limit for Ne revisited. The Journal of Chemical Physics. 129: 194115. PMID 19026053 DOI: 10.1063/1.3013140 |
0.711 |
|
2008 |
Zhong S, Barnes EC, Petersson GA. Uniformly convergent n -tuple- augmented polarized (nZaP) basis sets for complete basis set extrapolations. I. Self-consistent field energies Journal of Chemical Physics. 129. DOI: 10.1063/1.3009651 |
0.688 |
|
2006 |
Wood GP, Radom L, Petersson GA, Barnes EC, Frisch MJ, Montgomery JA. A restricted-open-shell complete-basis-set model chemistry. The Journal of Chemical Physics. 125: 094106. PMID 16965071 DOI: 10.1063/1.2335438 |
0.72 |
|
2006 |
Petersson GA, Malick DK, Frisch MJ, Braunstein M. The convergence of complete active space self-consistent-field configuration interaction including all single and double excitation energies to the complete basis set limit. The Journal of Chemical Physics. 125: 44107. PMID 16942134 DOI: 10.1063/1.2212930 |
0.784 |
|
2005 |
Petersson GA, Malick DK, Frisch MJ, Braunstein M. The convergence of complete active space self-consistent-field energies to the complete basis set limit. The Journal of Chemical Physics. 123: 074111. PMID 16229563 DOI: 10.1063/1.1999630 |
0.788 |
|
2003 |
Petersson GA, Zhong S, Montgomery JA, Frisch MJ. On the optimization of gaussian basis sets Journal of Chemical Physics. 118: 1101-1109. DOI: 10.1063/1.1516801 |
0.326 |
|
2002 |
Austin AJ, Frisch MJ, Montgomery JA, Petersson GA. An overlap criterion for selection of core orbitals Theoretical Chemistry Accounts. 107: 180-186. DOI: 10.1007/S00214-001-0310-1 |
0.665 |
|
2000 |
Montgomery JA, Frisch MJ, Ochterski JW, Petersson GA. A complete basis set model chemistry. VII. Use of the minimum population localization method Journal of Chemical Physics. 112: 6532-6542. DOI: 10.1063/1.481224 |
0.367 |
|
2000 |
Petersson GA, Frisch MJ. A journey from generalized valence bond theory to the full CI complete basis set limit Journal of Physical Chemistry A. 104: 2183-2190. DOI: 10.1021/Jp991947U |
0.498 |
|
1999 |
Montgomery JA, Frisch MJ, Ochterski JW, Petersson GA. A complete basis set model chemistry. VI. Use of density functional geometries and frequencies The Journal of Chemical Physics. 110: 2822-2827. DOI: 10.1063/1.477924 |
0.395 |
|
1998 |
Petersson GA, Malick DK, Wilson WG, Ochterski JW, Montgomery JA, Frisch MJ. Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry Journal of Chemical Physics. 109: 10570-10579. DOI: 10.1063/1.477794 |
0.784 |
|
1998 |
Montgomery JA, Frisch MJ, Ochterski JW, Petersson GA, Raghavachari K, Zakrzewski VG. Comment on "assessment of complete basis set methods for calculation of enthalpies of formation" [J. Chem. Phys. 108, 692 (1998)] Journal of Chemical Physics. 109: 6505-6506. DOI: 10.1063/1.477299 |
0.394 |
|
1998 |
Malick DK, Petersson GA, Montgomery JA. Transition states for chemical reactions I. Geometry and classical barrier height Journal of Chemical Physics. 108: 5704-5713. DOI: 10.1063/1.476317 |
0.785 |
|
1998 |
Clifford EP, Wenthold PG, Lineberger WC, Petersson GA, Broadus KM, Kass SR, Kato S, DePuy CH, Bierbaum VM, Ellison GB. Properties of Diazocarbene (CNN) and the Diazomethyl Radical (HCNN) via Ion Chemistry and Spectroscopy Journal of Physical Chemistry A. 102: 7100-7112. DOI: 10.1021/Jp9802735 |
0.327 |
|
1998 |
Zhang XM, Malick D, Petersson GA. Enolization Enthalpies for Aliphatic Carbonyl and Thiocarbonyl Compounds Journal of Organic Chemistry. 63: 5314-5317. DOI: 10.1021/Jo972157O |
0.75 |
|
1998 |
Malick DK, Petersson GA, Montgomery JA. Transition states for chemical reactions I. Geometry and classical barrier height Journal of Chemical Physics. 108: 5704-5713. |
0.74 |
|
1997 |
Clifford EP, Wenthold PG, Lineberger WC, Petersson GA, Ellison GB. Photoelectron spectroscopy of the NCN- and HNCN- ions Journal of Physical Chemistry A. 101: 4338-4345. DOI: 10.1021/Jp964067D |
0.374 |
|
1996 |
Ochterski JW, Petersson GA, Montgomery JA. A complete basis set model chemistry. V. Extensions to six or more heavy atoms The Journal of Chemical Physics. 104: 2598-2619. DOI: 10.1063/1.470985 |
0.483 |
|
1996 |
Harkins PC, Petersson G, Haake P. Distortion of O - P - O bond angles in phosphorus monoanions: Ab initio studies Journal of Inorganic Biochemistry. 61: 25-41. DOI: 10.1016/0162-0134(95)00031-3 |
0.379 |
|
1994 |
Montgomery JA, Ochterski JW, Petersson GA. A complete basis set model chemistry. IV. An improved atomic pair natural orbital method The Journal of Chemical Physics. 101: 5900-5909. DOI: 10.1063/1.467306 |
0.526 |
|
1992 |
Petersson GA, Tensfeldt TG, Montgomery JA. Vinylidene and the Hammond postulate Journal of the American Chemical Society. 114: 6133-6138. DOI: 10.1021/Ja00041A034 |
0.443 |
|
1991 |
Petersson GA, Tensfeldt TG, Montgomery JA. A complete basis set model chemistry. III. The complete basis set‐quadratic configuration interaction family of methods The Journal of Chemical Physics. 94: 6091-6101. DOI: 10.1063/1.460448 |
0.505 |
|
1991 |
Petersson GA, Al-Laham MA. A complete basis set model chemistry. II. Open-shell systems and the total energies of the first-row atoms The Journal of Chemical Physics. 94: 6081-6090. DOI: 10.1063/1.460447 |
0.535 |
|
1991 |
Petersson GA, Mantzaris J. Calculated heat of formation of ammonia Journal of the American Chemical Society. 113: 2486-2490. DOI: 10.1021/Ja00007A022 |
0.343 |
|
1991 |
Shirley WA, Petersson GA. The convergence of coupled-cluster methods for Be2 Chemical Physics Letters. 181: 588-590. DOI: 10.1016/0009-2614(91)80319-S |
0.774 |
|
1990 |
Montgomery JA, Petersson GA, Al-Laham MA, Mantzaris J. On the dissociation energy of NF(X 3Σ-) Chemical Physics Letters. 169: 497-500. DOI: 10.1016/0009-2614(90)85637-R |
0.412 |
|
1990 |
Montgomery JA, Petersson GA. On the CH bond dissociation energy of acetylene Chemical Physics Letters. 168: 75-78. DOI: 10.1016/0009-2614(90)85105-L |
0.469 |
|
1989 |
Montgomery JA, Petersson GA, Matsunaga N. On the helium pair potential Chemical Physics Letters. 155: 413-418. DOI: 10.1016/0009-2614(89)87178-7 |
0.471 |
|
1989 |
Petersson GA, Shirley WA. The beryllium dimer potential Chemical Physics Letters. 160: 494-501. DOI: 10.1016/0009-2614(89)80052-1 |
0.745 |
|
1988 |
Petersson GA, Bennett A, Tensfeldt TG, Al-Laham MA, Shirley WA, Mantzaris J. A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements The Journal of Chemical Physics. 89: 2193-2218. DOI: 10.1063/1.455064 |
0.816 |
|
1985 |
Petersson GA, Yee AK, Bennett A. Complete basis set correlation energies. III. The total correlation energy of the neon atom The Journal of Chemical Physics. 83: 5105-5128. DOI: 10.1063/1.449724 |
0.478 |
|
1981 |
Petersson GA, Nyden MR. Interference effects in pair correlation energies: Helium L-limit energies The Journal of Chemical Physics. 75: 3423-3425. DOI: 10.1063/1.442450 |
0.359 |
|
1981 |
Nyden MR, Petersson GA. Complete basis set correlation energies. I. The asymptotic convergence of pair natural orbital expansions The Journal of Chemical Physics. 75: 1843-1862. DOI: 10.1063/1.442208 |
0.414 |
|
1981 |
Nyden MR, Petersson GA. Perturbation theory applied to potential energy surfaces. I. The choice of a suitable reference function ψ(0) The Journal of Chemical Physics. 74: 6312-6318. DOI: 10.1063/1.441023 |
0.332 |
|
1980 |
Nyden MR, Petersson GA. Pairwise correlated generalized valence bond model of electronic structure. VII. The b3∑ u+ state of H2 International Journal of Quantum Chemistry. 17: 975-982. DOI: 10.1002/Qua.560170512 |
0.414 |
|
1977 |
Wouters JM, Petersson GA, Agosta WC, Field FH, Gibbons WA, Wyssbrod H, Cowburn D. Reference lineshape adjusted difference NMR spectroscopy. II. experimental verification Journal of Magnetic Resonance (1969). 28: 93-104. DOI: 10.1016/0022-2364(77)90259-1 |
0.452 |
|
1975 |
Corey EJ, Howe WJ, Orf HW, Pensak DA, Petersson G. General methods of synthetic analysis. Strategic bond disconnections for bridged polycyclic structures Journal of the American Chemical Society. 97: 6116-6124. DOI: 10.1021/Ja00854A026 |
0.415 |
|
1974 |
Petersson GA. The pairwise correlated generalized valence bond model of electronic structure I; the estimation of pair energies from orbital overlaps. Proceedings of the National Academy of Sciences of the United States of America. 71: 2795-9. PMID 16592172 |
0.329 |
|
1972 |
COREY EJ, PETERSSON GA. ChemInform Abstract: ALGORITHMUS FUER DIE MASCHINELLE REGISTRIERUNG WICHTIGER RINGE IN KOMPLEXEN CYCLISCHEN ORGANISCHEN STRUKTUREN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197218064 |
0.372 |
|
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