Birkholz, Adam B.: search on Z-Library

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1

Path optimization by a variational reaction coordinate method. II. Improved computational efficiency through internal coordinates and surface interpolation

Birkholz, Adam B., Schlegel, H. Bernhard

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.47 MB

english, 2016

2

Path optimization by a variational reaction coordinate method. I. Development of formalism and algorithms

Birkholz, Adam B., Schlegel, H. Bernhard

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.20 MB

english, 2015

3

Using bonding to guide transition state optimization

Birkholz, Adam B., Schlegel, H. Bernhard

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 559 KB

english, 2015

4

Vacancy-Type Defects in Iron-Pyrite FeS2-x

Puff, Werner, Birkholz, M., Balogh, Adam G., Fiechter, S.

Journal:

Materials Science Forum

Year:

1997

File:

PDF, 271 KB

1997

5

Mechanistic Insights into the Racemization of Fused Cyclopropyl Isoxazolines

Quasdorf, Kyle W., Birkholz, Adam B., Bartberger, Michael D., Colyer, John, Osgood, Stephen, Crossley, Kevin, Caille, Seb

Journal:

Organic Letters

Year:

2019

Language:

english

File:

PDF, 1.59 MB

english, 2019

6

Defect Characteristics in Natural and Synthetic Pyrite Crystals

Puff, Werner, Balogh, Adam G., Birkholz, M., Fiechter, S.

Journal:

Materials Science Forum

Year:

1992

File:

PDF, 253 KB

1992

7

Mechanistic Insights into the Racemization of Fused Cyclopropyl Isoxazolines

Quasdorf, Kyle W., Birkholz, Adam B., Bartberger, Michael D., Colyer, John, Osgood, Stephen, Crossley, Kevin, Caille, Seb

Journal:

Organic Letters

Year:

2019

File:

PDF, 1.59 MB

2019

8

Utility of Intraoperative Neuromonitoring during Minimally Invasive Fusion of the Sacroiliac Joint

Woods, Michael, Birkholz, Denise, MacBarb, Regina, Capobianco, Robyn, Woods, Adam

Journal:

Advances in Orthopedics

Year:

2014

Language:

english

File:

PDF, 2.32 MB

english, 2014

9

Exploration of some refinements to geometry optimization methods

Birkholz, Adam B., Schlegel, H. Bernhard

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 874 KB

english, 2016

10

Systematic Study of the Glutathione (GSH) Reactivity of N-Phenylacrylamides: 2. Effects of Acrylamide Substitution

Birkholz, Adam, Kopecky, David J, Volak, Laurie P, Bartberger, Michael D., Chen, Yuping, Tegley, Chris, Arvedson, Tara L., McCarter, John D, Fotsch, Christopher H., Cee, Victor J.

Journal:

Journal of Medicinal Chemistry

Year:

2020

File:

PDF, 650 KB

2020

11

Coordinate reduction for exploring chemical reaction paths

Adam B. Birkholz, H. Bernhard Schlegel

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 456 KB

english, 2012

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