Hoyer, Chad E.: search on Z-Library

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1

A Primer in Monte Carlo Integration Using Mathcad

Hoyer, Chad E., Kegerreis, Jeb S.

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 453 KB

english, 2013

2

Analytic Gradients for Complete Active Space Pair-Density Functional Theory

Sand, Andrew M., Hoyer, Chad E., Sharkas, Kamal, Kidder, Katherine Marie, Lindh, Roland, Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 2.32 MB

english, 2017

3

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

Ghosh, Soumen, Sonnenberger, Andrew L., Hoyer, Chad E., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 437 KB

english, 2015

4

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems

Gagliardi, Laura, Truhlar, Donald G., Li Manni, Giovanni, Carlson, Rebecca K., Hoyer, Chad E., Bao, Junwei Lucas

Journal:

Accounts of Chemical Research

Year:

2017

Language:

english

File:

PDF, 854 KB

english, 2017

5

Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole

Li, Shaohong L., Xu, Xuefei, Hoyer, Chad E., Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 2.27 MB

english, 2015

6

Comment on “Fe 2 : As simple as a Herculean labour. Neutral (Fe 2 ), cationic (Fe 2+ ), and anionic (Fe 2− ) species” [J. Chem. Phys. 142 , 244304 (2015)]

Hoyer, Chad E., Li Manni, Giovanni, Truhlar, Donald G., Gagliardi, Laura

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 239 KB

english, 2016

7

Echinocandin treatment of Candida albicans biofilms enhances neutrophil extracellular trap (NET) formation.

Hoyer, Amanda R., Johnson, Chad J., Hoyer, Matthew R., Kernien, John F., Nett, Jeniel E.

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2018

Language:

english

File:

PDF, 765 KB

english, 2018

8

Dissociating the effects of oxygen pressure and content on the control of breathing and acute hypoxic response

Dominelli, Paolo B., Baker, Sarah Elizabeth, Wiggins, Chad C., Stewart, Glenn Malcolm, Sajgalik, Pavol, Shepherd, John R.A., Roberts, Shelly K., Roy, Tuhin K., Curry, Timothy B., Hoyer, James D., Oliv

Journal:

Journal of Applied Physiology

Year:

2019

Language:

english

File:

PDF, 767 KB

english, 2019

9

A Two-Coordinate Manganese(0) Complex with an Unsupported Mn–Mg Bond: Allowing Access to Low Coordinate Homo- and Heterobimetallic Compounds

Hicks, Jamie, Hoyer, Chad E., Moubaraki, Boujemaa, Manni, Giovanni Li, Carter, Emma, Murphy, Damien M., Murray, Keith S., Gagliardi, Laura, Jones, Cameron

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 682 KB

english, 2014

10

The DQ and DQΦ electronic structure diabatization methods: Validation for general applications

Hoyer, Chad E., Parker, Kelsey, Gagliardi, Laura, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 6.67 MB

english, 2016

11

Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

Ghosh, Soumen, Sonnenberger, Andrew L., Hoyer, Chad E., Truhlar, Donald G., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 112 KB

english, 2015

12

Diabatization based on the dipole and quadrupole: The DQ method

Hoyer, Chad E., Xu, Xuefei, Ma, Dongxia, Gagliardi, Laura, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.17 MB

english, 2014

13

Correction to “Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions”

Hoyer, Chad E., Gagliardi, Laura, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 131 KB

english, 2015

14

Mechanisms involved in the triggering of neutrophil extracellular traps (NETs) by Candida glabrata during planktonic and biofilm growth

Johnson, Chad J., Kernien, John F., Hoyer, Amanda R., Nett, Jeniel E.

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 5.82 MB

english, 2017

15

Relativistic two-component projection-based quantum embedding for open-shell systems

Hoyer, Chad E., Li, Xiaosong

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.20 MB

2020

16

Embedding non-collinear two-component electronic structure in a collinear quantum environment

Hoyer, Chad E., Williams-Young, David B., Huang, Chen, Li, Xiaosong

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.73 MB

english, 2019

17

Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions

Hoyer, Chad E., Gagliardi, Laura, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 454 KB

english, 2015

18

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation

Hoyer, Chad E., Ghosh, Soumen, Truhlar, Donald G., Gagliardi, Laura

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 367 KB

english, 2016

19

State-interaction pair-density functional theory

Sand, Andrew M., Hoyer, Chad E., Truhlar, Donald G., Gagliardi, Laura

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 790 KB

english, 2018

20

The Chronus Quantum software package

Williams‐Young, David B., Petrone, Alessio, Sun, Shichao, Stetina, Torin F., Lestrange, Patrick, Hoyer, Chad E., Nascimento, Daniel R., Koulias, Lauren, Wildman, Andrew, Kasper, Joseph, Goings, Joshua

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2019

File:

PDF, 2.17 MB

2019

21

Influence of high affinity haemoglobin on the response to normoxic and hypoxic exercise

Dominelli, Paolo B., Wiggins, Chad C., Baker, Sarah E., Shepherd, John‐Roger A., Roberts, Shelly K., Roy, Tuhin K., Curry, Timothy B., Hoyer, James D., Oliveira, Jennifer L., Joyner, Michael J.

Journal:

The Journal of Physiology

Year:

2020

Language:

english

File:

PDF, 1.43 MB

english, 2020

22

Controversial electronic structures and energies of Fe2, ${\rm Fe}_2^ +$ Fe 2+, and ${\rm Fe}_2^ -$ Fe 2− resolved by RASPT2 calculations

Hoyer, Chad E., Manni, Giovanni Li, Truhlar, Donald G., Gagliardi, Laura

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 738 KB

english, 2014

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