Swalina C - Search Results

1

Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems.

Swalina C, Pak MV, Hammes-Schiffer S. Swalina C, et al. J Chem Phys. 2005 Jul 1;123(1):014303. doi: 10.1063/1.1940634. J Chem Phys. 2005. PMID: 16035831

2

Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer.

Swalina C, Hammes-Schiffer S. Swalina C, et al. J Phys Chem A. 2005 Nov 17;109(45):10410-7. doi: 10.1021/jp053552i. J Phys Chem A. 2005. PMID: 16833338

3

Analysis of nuclear quantum effects on hydrogen bonding.

Swalina C, Wang Q, Chakraborty A, Hammes-Schiffer S. Swalina C, et al. J Phys Chem A. 2007 Mar 22;111(11):2206-12. doi: 10.1021/jp0682661. Epub 2007 Feb 24. J Phys Chem A. 2007. PMID: 17388289

4

Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach.

Ko C, Pak MV, Swalina C, Hammes-Schiffer S. Ko C, et al. Among authors: swalina c. J Chem Phys. 2011 Aug 7;135(5):054106. doi: 10.1063/1.3611054. J Chem Phys. 2011. PMID: 21823689

5

Analysis of electron-positron wavefunctions in the nuclear-electronic orbital framework.

Swalina C, Pak MV, Hammes-Schiffer S. Swalina C, et al. J Chem Phys. 2012 Apr 28;136(16):164105. doi: 10.1063/1.4704124. J Chem Phys. 2012. PMID: 22559468

6

Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: theoretical formulation.

Sirjoosingh A, Pak MV, Swalina C, Hammes-Schiffer S. Sirjoosingh A, et al. Among authors: swalina c. J Chem Phys. 2013 Jul 21;139(3):034102. doi: 10.1063/1.4812257. J Chem Phys. 2013. PMID: 23883005

7

Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: applications to positronic molecular systems.

Sirjoosingh A, Pak MV, Swalina C, Hammes-Schiffer S. Sirjoosingh A, et al. Among authors: swalina c. J Chem Phys. 2013 Jul 21;139(3):034103. doi: 10.1063/1.4812259. J Chem Phys. 2013. PMID: 23883006

8

Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework.

Swalina C, Pak MV, Chakraborty A, Hammes-Schiffer S. Swalina C, et al. J Phys Chem A. 2006 Aug 24;110(33):9983-7. doi: 10.1021/jp0634297. J Phys Chem A. 2006. PMID: 16913669

9

Anharmonic effects in ammonium nitrate and hydroxylammonium nitrate clusters.

Kumarasiri M, Swalina C, Hammes-Schiffer S. Kumarasiri M, et al. Among authors: swalina c. J Phys Chem B. 2007 May 10;111(18):4653-8. doi: 10.1021/jp065569m. J Phys Chem B. 2007. PMID: 17474693

10

Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method.

Adamson PE, Duan XF, Burggraf LW, Pak MV, Swalina C, Hammes-Schiffer S. Adamson PE, et al. Among authors: swalina c. J Phys Chem A. 2008 Feb 14;112(6):1346-51. doi: 10.1021/jp7098015. Epub 2008 Jan 24. J Phys Chem A. 2008. PMID: 18215029

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