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발행년	- (예 : 2010-2015)

Developing a Computational Chemistry Framework for the Exascale Era

Academic Journal

Richard, R.M.; Bertoni, C.; Boschen, J.S.; Keipert, K.; Pritchard, B.; Valeev, E.F.; Harrison, R.J.; de Jong, W.A.; Windus, T.L.

Computing in Science & Engineering Comput. Sci. Eng. Computing in Science & Engineering. 21(2):48-58 Apr, 2019

Full Text (IEEE) Web of Science JCR 저널정보 Scopus Find it@PNU

Stabilization of X-Au-X Complexes on the Au(111) Surface: A Theoretical Investigation and Comparison of X = S, Cl, CH3S, and SiH3S

Academic Journal

Lee, J.; Boschen, J.S.; Windus, T.L.; Thiel, P.A.; Liu, D.-J.

In: Journal of Physical Chemistry C. (Journal of Physical Chemistry C, 23 February 2017, 121(7):3870-3879)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Correlation energy extrapolation by many-body expansion Published as part of the journal of physical chemistry virtual special issue "Mark S. Gordon festschrift

Academic Journal

Boschen, J.S.; Theis, D.; Ruedenberg, K.; Windus, T.L.

In: Journal of Physical Chemistry A. (Journal of Physical Chemistry A, 2 February 2017, 121(4):836-844)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Escape of anions from geminate recombination in THF due to charge delocalization

Academic Journal

Chen, H.-C.; Cook, A.R.; Miller, J.R.; Asaoka, S.; Boschen, J.S.; Windus, T.L.

In: Physical Chemistry Chemical Physics. (Physical Chemistry Chemical Physics, 2017, 19(48):32272-32285)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

Comparison of S-adsorption on (111) and (100) facets of Cu nanoclusters

Academic Journal

Boschen, J.S.; Lee, J.; Windus, T.L.; Evans, J.W.; Thiel, P.A.; Liu, D.-J.

In: Journal of Chemical Physics. (Journal of Chemical Physics, 28 October 2016, 145(16))

Full Text (AIP) Web of Science JCR 저널정보 Scopus Find it@PNU

Size Dependence of S-bonding on (111) Facets of Cu Nanoclusters

Academic Journal

Boschen, J.S.; Lee, J.; Windus, T.L.; Evans, J.W.; Liu, D.-J.

In: Journal of Physical Chemistry C. (Journal of Physical Chemistry C, 19 May 2016, 120(19):10268-10274)

Full Text (ACS) Web of Science JCR 저널정보 Scopus Find it@PNU

Mild partial deoxygenation of esters catalyzed by an oxazolinylborate-coordinated rhodium silylene

Academic Journal

Xu, S.; Boschen, J.S.; Biswas, A.; Kobayashi, T.; Pruski, M.; Windus, T.L.; Sadow, A.D.

In: Dalton Transactions. (Dalton Transactions, 28 July 2015, 44(36):15897-15904)

Full Text (RSC Gold) Web of Science JCR 저널정보 Scopus Find it@PNU

Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2

Academic Journal

Boschen, J.S.; Theis, D.; Ruedenberg, K.; Windus, T.L.

In: Theoretical Chemistry Accounts. (Theoretical Chemistry Accounts, February 2014, 133(2):1-12)

EBSCOHost PDF Full Text (Springer-Archive) Web of Science JCR 저널정보 Scopus Find it@PNU

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape

Academic Journal

Kowalski, K.; Bauman, N.P.; Bylaska, E.J.; Daily, J.; Dunning, T.; Govind, N.; Krishnamoorthy, S.; Kumar, S.; Mutlu, E.; Palmer, B.; Panyala, A.; Peng, B.; Sushko, P.; Valiev, M.; Zalewski, M.; Bair, R.; Keçeli, M.; Keipert, K.; Boschen, J.S.; Richard, R.M.; Waldrop, J.M.; De Jong, W.A.; Williams-Young, D.B.; Yang, C.; Harrison, R.J.; Straatsma, T.P.; Valeev, E.F.; Van Dam, H.J.J.; Windus, T.L.

In: Chemical Reviews. (Chemical Reviews, 28 April 2021, 121(8):4962-4998)

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