Year |
Citation |
Score |
2020 |
Battey SR, Bross DH, Peterson KA, Persinger TD, VanGundy RA, Heaven MC. Spectroscopic and theoretical studies of UN and UN+ The Journal of Chemical Physics. 152: 094302. DOI: 10.1063/1.5144299 |
0.341 |
|
2018 |
Lahm ME, Hoobler PR, Turney JM, Peterson KA, Schaefer HF. The bismuth tetramer Bi: the ν key to experimental observation. Physical Chemistry Chemical Physics : Pccp. PMID 30112536 DOI: 10.1039/c8cp03529f |
0.302 |
|
2017 |
Feng R, Peterson KA. Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr. The Journal of Chemical Physics. 147: 084108. PMID 28863538 DOI: 10.1063/1.4994725 |
0.317 |
|
2017 |
VanGundy RA, Bartlett JH, Heaven MC, Battey SR, Peterson KA. Spectroscopic and theoretical studies of ThCl and ThCl(). The Journal of Chemical Physics. 146: 054307. PMID 28178806 DOI: 10.1063/1.4975070 |
0.303 |
|
2016 |
Lu Q, Peterson KA. Correlation consistent basis sets for lanthanides: The atoms La-Lu. The Journal of Chemical Physics. 145: 054111. PMID 27497543 DOI: 10.1063/1.4959280 |
0.335 |
|
2014 |
Brites V, Mitrushchenkov AO, Peterson KA, Léonard C. Ab initio ro-vibronic spectroscopy of SiCCl (X̃(2)Π). The Journal of Chemical Physics. 141: 034305. PMID 25053318 DOI: 10.1063/1.4889933 |
0.302 |
|
2013 |
Bross DH, Hill JG, Werner HJ, Peterson KA. Explicitly correlated composite thermochemistry of transition metal species. The Journal of Chemical Physics. 139: 094302. PMID 24028112 DOI: 10.1063/1.4818725 |
0.301 |
|
2013 |
Hill JG, Mitrushchenkov AO, Peterson KA. Ab initio ro-vibrational spectroscopy of the group 11 cyanides: CuCN, AgCN, and AuCN. The Journal of Chemical Physics. 138: 134314. PMID 23574234 DOI: 10.1063/1.4798638 |
0.302 |
|
2012 |
Dixon DA, Feller D, Peterson KA. A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table Annual Reports in Computational Chemistry. 8: 1-28. DOI: 10.1016/B978-0-444-59440-2.00001-6 |
0.3 |
|
2011 |
Grant Hill J, Mitrushchenkov A, Yousaf KE, Peterson KA. Accurate ab initio ro-vibronic spectroscopy of the X̃2Π CCN radical using explicitly correlated methods. The Journal of Chemical Physics. 135: 144309. PMID 22010720 DOI: 10.1063/1.3647311 |
0.344 |
|
2011 |
Holka F, Szalay PG, Fremont J, Rey M, Peterson KA, Tyuterev VG. Accurate ab initio determination of the adiabatic potential energy function and the Born-Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologues. The Journal of Chemical Physics. 134: 094306. PMID 21384968 DOI: 10.1063/1.3555758 |
0.311 |
|
2010 |
Peterson KA. A theoretical study of the low-lying electronic states of OIO and the ground states of IOO and OIO- Molecular Physics. 108: 393-408. DOI: 10.1080/00268970903508548 |
0.32 |
|
2009 |
Stoll H, Peterson KA, Merritt JM, Heaven MC. On the ionization energy of HfO. The Journal of Physical Chemistry. A. 113: 12353-5. PMID 19888771 DOI: 10.1021/Jp904936X |
0.307 |
|
2008 |
Dixon DA, Grant DJ, Christe KO, Peterson KA. Structure and heats of formation of iodine fluorides and the respective closed-shell ions from CCSD(T) electronic structure calculations and reliable prediction of the steric activity of the free-valence electron pair in ClF6-, BrF6-, and IF6-. Inorganic Chemistry. 47: 5485-94. PMID 18476690 DOI: 10.1021/Ic800021H |
0.32 |
|
2008 |
Figgen D, Peterson KA, Stoll H. Energy-consistent relativistic pseudopotentials for the 4d elements: atomic and molecular applications. The Journal of Chemical Physics. 128: 034110. PMID 18205491 DOI: 10.1063/1.2822992 |
0.345 |
|
2008 |
Peterson KA, Mitrushchenkov A, Francisco JS. A theoretical study of the spectroscopic properties of the ground and first excited electronic state of HS2 Chemical Physics. 346: 34-44. DOI: 10.1016/J.Chemphys.2008.02.042 |
0.323 |
|
2007 |
Peterson KA, Figgen D, Dolg M, Stoll H. Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd. The Journal of Chemical Physics. 126: 124101. PMID 17411102 DOI: 10.1063/1.2647019 |
0.309 |
|
2007 |
Feller D, Peterson KA. Probing the limits of accuracy in electronic structure calculations: is theory capable of results uniformly better than "chemical accuracy"? The Journal of Chemical Physics. 126: 114105. PMID 17381194 DOI: 10.1063/1.2464112 |
0.307 |
|
2007 |
Peterson KA, Shepler BC, Singleton JM. The group 12 metal chalcogenides: An accurate multireference configuration interaction and coupled cluster study Molecular Physics. 105: 1139-1155. DOI: 10.1080/00268970701241664 |
0.307 |
|
2006 |
Peterson KA, Shepler BC, Figgen D, Stoll H. On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions. The Journal of Physical Chemistry. A. 110: 13877-83. PMID 17181347 DOI: 10.1021/Jp065887L |
0.319 |
|
2005 |
Shepler BC, Balabanov NB, Peterson KA. Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O). The Journal of Physical Chemistry. A. 109: 10363-72. PMID 16833332 DOI: 10.1021/Jp0541617 |
0.333 |
|
2005 |
Dixon DA, de Jong WA, Peterson KA, Christe KO, Schrobilgen GJ. Heats of formation of xenon fluorides and the fluxionality of XeF(6) from high level electronic structure calculations. Journal of the American Chemical Society. 127: 8627-34. PMID 15954767 DOI: 10.1021/Ja0423116 |
0.303 |
|
2003 |
Peterson KA, Figgen D, Goll E, Stoll H, Dolg M. Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements The Journal of Chemical Physics. 119: 11113-11123. DOI: 10.1063/1.1622924 |
0.301 |
|
2003 |
Ramachandran B, Srivani Vegesna N, Peterson KA. Effects of electron correlation and scalar relativistic corrections on the thermochemical and spectroscopic properties of HOF Journal of Physical Chemistry A. 107: 7938-7944. DOI: 10.1021/Jp035266H |
0.319 |
|
2003 |
Shepler BC, Peterson KA. Mercury monoxide: A systematic investigation of its ground electronic state Journal of Physical Chemistry A. 107: 1783-1787. DOI: 10.1021/Jp027512F |
0.304 |
|
2002 |
Koput J, Carter S, Peterson KA, Theodorakopoulos G. The ab initio potential energy surface and vibrational-rotational energy levels of X2∑ + MgOH Journal of Chemical Physics. 117: 1529-1535. DOI: 10.1063/1.1485721 |
0.307 |
|
2002 |
Koput J, Peterson KA. Ab initio potential energy surface and vibrational-rotational energy levels of X2Σ+ Journal of Physical Chemistry A. 106: 9595-9599. DOI: 10.1021/Jp026283U |
0.3 |
|
2001 |
Peterson KA, Flowers BA, Francisco JS. Accurate ab initio spectroscopic and thermodynamic properties of BBrx and HBBrx (x=0, +1, -1) Journal of Chemical Physics. 115: 7513-7521. DOI: 10.1063/1.1405435 |
0.302 |
|
2000 |
Xie D, Guo H, Peterson KA. Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone The Journal of Chemical Physics. 112: 8378-8386. DOI: 10.1063/1.481442 |
0.318 |
|
2000 |
Peterson KA. An accurate global ab initio potential energy surface for the X 1A′ electronic state of HOBr The Journal of Chemical Physics. 113: 4598-4612. DOI: 10.1063/1.1288913 |
0.333 |
|
2000 |
Van Mourik T, Dunning TH, Peterson KA. Ab initio characterization of the HCOx (x = -1, 0, +1) species: Structures, vibrational frequencies, CH bond dissociation energies, and HCO ionization potential and electron affinity Journal of Physical Chemistry A. 104: 2287-2293. DOI: 10.1021/Jp9925583 |
0.311 |
|
2000 |
Xie D, Guo H, Peterson KA. Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone Journal of Chemical Physics. 112: 8378-8386. |
0.319 |
|
1998 |
Skokov S, Qi J, Bowman JM, Yang CY, Gray SK, Peterson KA, Mandelshtam VA. Accurate variational calculations and analysis of the HOCl vibrational energy spectrum Journal of Chemical Physics. 109: 10273-10283. DOI: 10.1063/1.477723 |
0.305 |
|
1998 |
Skokov S, Peterson KA, Bowman JM. An accurate ab initio HOCl potential energy surface, vibrational and rotational calculations, and comparison with experiment Journal of Chemical Physics. 109: 2662-2671. DOI: 10.1063/1.476865 |
0.306 |
|
1998 |
Koput J, Peterson KA. The ab initio potential energy surface and spectroscopic constants of HOCl Chemical Physics Letters. 283: 139-146. DOI: 10.1016/S0009-2614(97)01348-1 |
0.312 |
|
1998 |
Koput J, Peterson KA. The ab initio potential energy surface and spectroscopic constants of HOCl Chemical Physics Letters. 283: 139-146. |
0.317 |
|
1997 |
Pak Y, Woods RC, Peterson KA. Coupled cluster spectroscopic properties and isomerization pathway for the cyanate/fulminate isomer pair, NCO−/CNO− The Journal of Chemical Physics. 106: 5123-5132. DOI: 10.1063/1.473557 |
0.311 |
|
1997 |
Pak Y, Woods RC, Peterson KA. Coupled cluster spectroscopic properties and isomerization pathway for the cyanate/fulminate isomer pair, NCO-/CNO- Journal of Chemical Physics. 106: 5123-5132. |
0.346 |
|
1996 |
Pak Y, Woods RC, Peterson KA. A coupled cluster study of the spectroscopic properties and electric dipole moment functions of nitrous sulfide The Journal of Chemical Physics. 104: 7073-7080. DOI: 10.1063/1.471425 |
0.317 |
|
1995 |
Pak Y, Woods RC, Peterson KA. A coupled cluster study of the structures, spectroscopic properties, and isomerization path of NCS− and CNS− The Journal of Chemical Physics. 103: 9304-9311. DOI: 10.1063/1.469989 |
0.331 |
|
1995 |
Pak Y, Claude Woods R, Peterson KA. A coupled cluster study of the structures, spectroscopic properties, and isomerization path of NCS- and CNS- The Journal of Chemical Physics. 103: 9304-9311. |
0.324 |
|
1990 |
Peterson KA, Woods RC. Anabinitiostudy of the 24 electron radicals PF, SO, NCl, SF+, ClO+, SiF−, PO−, NS−, and CCl−in theirX 3∑−electronic states The Journal of Chemical Physics. 93: 1876-1888. DOI: 10.1063/1.459065 |
0.336 |
|
1990 |
Peterson KA, Woods RC. Theoretical dipole moment functions involving the a 3Π and a’ 3Σ+ states of carbon monoxide The Journal of Chemical Physics. 93: 5029-5036. DOI: 10.1063/1.458640 |
0.309 |
|
1990 |
Peterson KA, Woods RC. An ab initio investigation of the spectroscopic properties of ClF, ArF+, SF−, and ClO− in their ground electronic states The Journal of Chemical Physics. 92: 7412-7417. DOI: 10.1063/1.458226 |
0.338 |
|
1990 |
Peterson KA, Woods RC. An ab initio investigation of the spectroscopic properties of ClF, ArF +, SF-, and ClO- in their ground electronic states The Journal of Chemical Physics. 92: 7412-7417. |
0.313 |
|
1988 |
Peterson KA, Woods RC. Predictions of the rotational and vibrational spectra of SiF+, PO+, and NS+ by Mo/ller–Plesset perturbation theory The Journal of Chemical Physics. 89: 4929-4944. DOI: 10.1063/1.455636 |
0.304 |
|
1988 |
Peterson KA, Woods RC. Predictions of the rotational and vibrational spectra of SiF+, PO+, and NS+ by Møller-Plesset perturbation theory The Journal of Chemical Physics. 89: 4929-4944. |
0.302 |
|
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