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1

Solvent-Induced Shift of the Lowest Singlet π → π* Charge-Transfer Excited State of p -Nitroaniline in Water: An Application of the TDDFT/EFP1 Method

Sok, Sarom, Willow, Soohaeng Y., Zahariev, Federico, Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.82 MB

english, 2011

2

Ice Ih anomalies: Thermal contraction, anomalous volume isotope effect, and pressure-induced amorphization

Salim, Michael A., Willow, Soohaeng Yoo, Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.24 MB

english, 2016

3

Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers

Willow, Soohaeng Yoo, Hermes, Matthew R., Kim, Kwang S., Hirata, So

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 897 KB

english, 2013

4

Enhancement of hydrogen storage capacity in hydrate lattices

Soohaeng Yoo Willow, Sotiris S. Xantheas

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

5

Brueckner-Goldstone quantum Monte Carlo for correlation energies and quasiparticle energy bands of one-dimensional solids

Willow, Soohaeng Yoo, Kim, Kwang S., Hirata, So

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 192 KB

english, 2014

6

The Melting Temperature of Liquid Water with the Effective Fragment Potential

Brorsen, Kurt R., Willow, Soohaeng Yoo, Xantheas, Sotiris S., Gordon, Mark S.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

7

Communication: Stochastic evaluation of explicitly correlated second-order many-body perturbation energy

Willow, Soohaeng Yoo, Zhang, Jinmei, Valeev, Edward F., Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 359 KB

english, 2014

8

Molecular-Level Insight of the Effect of Hofmeister Anions on the Interfacial Surface Tension of a Model Protein

Willow, Soohaeng Yoo, Xantheas, Sotiris S.

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.76 MB

english, 2017

9

Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams

Willow, Soohaeng Yoo, Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 580 KB

english, 2014

10

On the polarization of ligands by proteins

Willow, Soohaeng Yoo, Xie, Bing, Lawrence, Jason, Eisenberg, Robert S., Minh, David D. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 5.16 MB

2020

11

Stochastic evaluation of second-order Dyson self-energies

Willow, Soohaeng Yoo, Kim, Kwang S., Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 641 KB

english, 2013

12

Why Is MP2-Water “Cooler” and “Denser” than DFT-Water?

Willow, Soohaeng Yoo, Zeng, Xiao Cheng, Xantheas, Sotiris S., Kim, Kwang S., Hirata, So

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 590 KB

english, 2016

13

Path integral molecular dynamics at zero thermal temperature

Willow, Soohaeng Yoo

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 864 KB

english, 2017

14

Solvent Induced Shifts in the UV Spectrum of Amides

De Silva, Nuwan, Willow, Soohaeng Y., Gordon, Mark S.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

15

Second-Order Many-Body Perturbation Theory: An Eternal Frontier

Hirata, So, He, Xiao, Hermes, Matthew R., Willow, Soohaeng Y.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

16

Stochastic evaluation of second-order many-body perturbation energies

Willow, Soohaeng Yoo, Kim, Kwang S., Hirata, So

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 561 KB

english, 2012

17

Molecular Insight into Different Denaturing Efficiency of Urea, Guanidinium, and Methanol: A Comparative Simulation Study

Koishi, Takahiro, Yasuoka, Kenji, Willow, Soohaeng Yoo, Fujikawa, Shigenori, Zeng, Xiao Cheng

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 4.39 MB

english, 2013

18

Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction

Willow, Soohaeng Yoo, Salim, Michael A., Kim, Kwang S., Hirata, So

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 785 KB

english, 2015

19

NH 4+ Resides Inside the Water 20-mer Cage As Opposed to H 3 O + , Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study

Willow, Soohaeng Yoo, Singh, N. Jiten, Kim, Kwang S.

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 983 KB

english, 2011

20

The freezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger–Weber silicon

Apte, Pankaj A., Pingua, Nandlal, Gautam, Arvind Kumar, Kumar, Uday, Willow, Soohaeng Yoo, Zeng, Xiao Cheng, Kulkarni, B. D.

Journal:

Year:

2015

Language:

english

File:

PDF, 948 KB

english, 2015

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