Chet Swalina, Ph.D.
Affiliations: | 2006 | Pennsylvania State University, State College, PA, United States |
Area:
theoretical and computational methods for describing chemical reactions in condensed phases and at interfacesGoogle:
"Chet Swalina"Mean distance: 9.76 | S | N | B | C | P |
Parents
Sign in to add mentor| Sharon Hammes-Schiffer | grad student | 2006 | Penn State | |
| (Dynamical electron -proton correlation in the nuclear -electronic orbital framework.) | ||||
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Publications
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| Sirjoosingh A, Pak MV, Swalina C, et al. (2013) Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systems. The Journal of Chemical Physics. 139: 034103 |
| Sirjoosingh A, Pak MV, Swalina C, et al. (2013) Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation. The Journal of Chemical Physics. 139: 034102 |
| Swalina C, Pak MV, Hammes-Schiffer S. (2012) Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework. The Journal of Chemical Physics. 136: 164105 |
| Ko C, Pak MV, Swalina C, et al. (2011) Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach. The Journal of Chemical Physics. 135: 054106 |
| Swalina C, Maroncelli M. (2010) Nonradiative deactivation in benzylidene malononitriles Journal of Physical Chemistry C. 114: 5602-5610 |
| Adamson PE, Duan XF, Burggraf LW, et al. (2008) Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method. The Journal of Physical Chemistry. A. 112: 1346-51 |
| Kumarasiri M, Swalina C, Hammes-Schiffer S. (2007) Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters. The Journal of Physical Chemistry. B. 111: 4653-8 |
| Swalina C, Wang Q, Chakraborty A, et al. (2007) Analysis of nuclear quantum effects on hydrogen bonding. The Journal of Physical Chemistry. A. 111: 2206-12 |
| Swalina C, Pak MV, Chakraborty A, et al. (2006) Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework. The Journal of Physical Chemistry. A. 110: 9983-7 |
| Swalina C, Hammes-Schiffer S. (2005) Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer. The Journal of Physical Chemistry. A. 109: 10410-7 |