| Year |
Citation |
Score |
| 2014 |
Tyagi R, Zhang Z, Pitzer RM. Electronic spectrum of the UO and UO(+) molecules. The Journal of Physical Chemistry. A. 118: 11758-67. PMID 25325820 DOI: 10.1021/Jp505722Y |
0.584 |
|
| 2014 |
Zimmerman SC, Pitzer RM. Isaiah Shavitt: Computational chemistry pioneer Theoretical Chemistry Accounts. 133: 1-7. DOI: 10.1007/S00214-014-1488-3 |
0.314 |
|
| 2013 |
Zhao K, Hsu HL, Laux L, Pitzer RM. Jahn-Teller effect in VCl4. The Journal of Physical Chemistry. A. 117: 13368-72. PMID 24003962 DOI: 10.1021/jp4066554 |
0.333 |
|
| 2012 |
Pitzer RM. Atomic self-consistent-field program by the basis set expansion method: Columbus version Computer Physics Communications. DOI: 10.1016/J.Cpc.2012.02.009 |
0.324 |
|
| 2011 |
Lischka H, Müller T, Szalay PG, Shavitt I, Pitzer RM, Shepard R. Columbus-a program system for advanced multireference theory calculations Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 191-199. DOI: 10.1002/Wcms.25 |
0.594 |
|
| 2010 |
Yang Y, Pitzer RM. Er3+ electronic energy levels in GaN. The Journal of Physical Chemistry. A. 114: 7117-20. PMID 20536196 DOI: 10.1021/jp100607y |
0.322 |
|
| 2009 |
Beck EV, Brozell SR, Blaudeau JP, Burggraf LW, Pitzer RM. Assessment of the accuracy of shape-consistent relativistic effective core potentials using multireference spin-orbit configuration interaction singles and doubles calculations of the ground and low-lying excited states of U(4+) and U(5+). The Journal of Physical Chemistry. A. 113: 12626-31. PMID 19888778 DOI: 10.1021/Jp9049846 |
0.374 |
|
| 2009 |
Yang T, Tyagi R, Zhang Z, Pitzer RM. Configuration interaction studies on the electronic states of the CUO molecule Molecular Physics. 107: 1193-1195. DOI: 10.1080/00268970902804534 |
0.589 |
|
| 2007 |
Sioutis I, Stakhursky VL, Pitzer RM, Miller TA. Jahn-Teller and related effects in the silver trimer. I. The ab initio calculation of spectroscopically observable parameters for the X 2E' and A 2E" electronic states. The Journal of Chemical Physics. 126: 124308. PMID 17411124 DOI: 10.1063/1.2430703 |
0.323 |
|
| 2007 |
Gibson JK, Haire RG, Marçalo J, Santos M, Leal JP, Pires De Matos A, Tyagi R, Mrozik MK, Pitzer RM, Bursten BE. FTICR/MS studies of gas-phase actinide ion reactions: Fundamental chemical and physical properties of atomic and molecular actinide ions and neutrals European Physical Journal D. 45: 133-138. DOI: 10.1140/Epjd/E2007-00151-4 |
0.461 |
|
| 2006 |
Santos M, de Matos AP, Marçalo J, Gibson JK, Haire RG, Tyagi R, Pitzer RM. Oxidation of gas-phase protactinium ions, Pa+ and Pa2+: formation and properties of PaO2(2+)(g), protactinyl. The Journal of Physical Chemistry. A. 110: 5751-9. PMID 16640369 DOI: 10.1021/Jp057297D |
0.444 |
|
| 2001 |
Lischka H, Shepard R, Pitzer RM, Shavitt I, Dallos M, Müller T, Szalay PG, Seth M, Kedziora GS, Yabushita S, Zhang Z. High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density Physical Chemistry Chemical Physics. 3: 664-673. DOI: 10.1039/B008063M |
0.597 |
|
| 2001 |
Wang Q, Pitzer RM. Structure and spectra of UO2F2 and its hydrated species Journal of Physical Chemistry A. 105: 8370-8375. DOI: 10.1021/Jp004009Z |
0.355 |
|
| 1994 |
Chang AHH, Zhao K, Ermler WC, Pitzer RM. Electronic structure of actinocenes and actinofullerenes Journal of Alloys and Compounds. 213: 191-195. DOI: 10.1016/0925-8388(94)90902-4 |
0.351 |
|
| 1993 |
Häussermann U, Dolg M, Stoll H, Preuss H, Schwerdtfeger P, Pitzer RM. Accuracy of energy-adjusted quasirelativistic ab initio pseudopotentials: All-electron and pseudopotential benchmark calculations for Hg, HgH and their cations Molecular Physics. 78: 1211-1224. DOI: 10.1080/00268979300100801 |
0.308 |
|
| 1991 |
Chang AHH, Ermler WC, Pitzer RM. The ground and excited states of C60M and C60M + (M = O, F, K, Ca, Mn, Cs, Ba, La, Eu, U) The Journal of Chemical Physics. 94: 5004-5010. DOI: 10.1063/1.460535 |
0.302 |
|
| 1990 |
Ross RB, Kern CW, Pitzer RM, Ermler WC, Winter NW. Ab initio properties of electronic states of Be69 Journal of Physical Chemistry. 94: 7771-7774. DOI: 10.1021/J100383A006 |
0.324 |
|
| 1989 |
Kotzian M, Rösch N, Pitzer RM, Zerner MC. A spin-orbit interaction enhanced INDO/S-CI technique: applications to main group and transition metal heteronuclear diatomic molecules Chemical Physics Letters. 160: 168-174. DOI: 10.1016/0009-2614(89)87577-3 |
0.356 |
|
| 1988 |
Shepard R, Shavitt I, Pitzer RM, Comeau DC, Pepper M, Lischka H, Szalay PG, Ahlrichs R, Brown FB, Zhao J. A progress report on the status of the COLUMBUSMRCI program system International Journal of Quantum Chemistry. 34: 149-165. DOI: 10.1002/Qua.560340819 |
0.55 |
|
| 1985 |
Ermler WC, Kern CW, Pitzer RM, Winter NW. Ab initio calculations on electronic states of Be13 The Journal of Chemical Physics. 84: 3937-3943. DOI: 10.1063/1.450104 |
0.336 |
|
| 1979 |
White WP, Pitzer RM, Weldon Mathews C, Dunning TH. The electronic states of carbon monofluoride. Rydberg states Journal of Molecular Spectroscopy. 75: 318-326. DOI: 10.1016/0022-2852(79)90125-5 |
0.342 |
|
| 1979 |
Dunning TH, White WP, Pitzer RM, Mathews CW. The electronic states of carbon monofluoride. Low-lying valence states Journal of Molecular Spectroscopy. 75: 297-317. DOI: 10.1016/0022-2852(79)90124-3 |
0.364 |
|
| 1976 |
Hsu HL, Peterson C, Pitzer RM. Calculations on the permanganate ion in the ground and excited states The Journal of Chemical Physics. 64: 791-795. |
0.353 |
|
| Show low-probability matches. |
