A. Daniel Boese: search on Z-Library

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1

New exchange-correlation density functionals: The role of the kinetic-energy density

Boese, A. Daniel, Handy, Nicholas C.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 720 KB

english, 2002

2

Stereoselective Preparation of Six Diastereomeric Quatercyclopropanes from Bicyclopropylidene and Some Derivatives

Malte von Seebach, Sergei I. Kozhushkov, Heiko Schill, Daniel Frank, Roland Boese, Jordi Benet-Buchholz, Dmitry S. Yufit, Armin de Meijere

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 231 KB

english, 2007

3

New generalized gradient approximation functionals

Boese, A. Daniel, Doltsinis, Nikos L., Handy, Nicholas C., Sprik, Michiel

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 403 KB

english, 2000

4

A new parametrization of exchange–correlation generalized gradient approximation functionals

Boese, A. Daniel, Handy, Nicholas C.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 547 KB

english, 2001

5

An assessment of the efficacy and safety of diclofenac potassium liquid-filled capsules in patients with various levels of baseline pain intensity

Daniels, Stephen E., Riff, Dennis, Diamond, Eric, Clark, Francis, Boesing, Stephen E.

Journal:

Current Medical Research and Opinion

Year:

2012

Language:

english

File:

PDF, 376 KB

english, 2012

6

Interference in interacting quantum dots with spin

Boese, Daniel, Hofstetter, Walter, Schoeller, Herbert

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 99 KB

english, 2002

7

W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range

Boese, A. Daniel, Oren, Mikhal, Atasoylu, Onur, Martin, Jan M. L., Kállay, Mihály, Gauss, Jürgen

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 350 KB

english, 2004

8

Basis set limit coupled-cluster studies of hydrogen-bonded systems

Boese, A. Daniel

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 483 KB

english, 2015

9

SPIE Proceedings [SPIE SPIE Astronomical Telescopes + Instrumentation - San Diego, California, USA (Sunday 27 June 2010)] Space Telescopes and Instrumentation 2010: Optical, Infrared, and Millimeter Wave - Successful production of the engineering development unit (EDU) primary mirror segment and flight unit tertiary mirror for JWST

Arneson, Andrea, Oschmann, Jr., Jacobus M., Clampin, Mark C., Alongi, Chris, Bernier, Rob, MacEwen, Howard A., Boese, Ed, Daniel, Jay, Dettmann, Lee, Garfield, Robert, Glatzel, Holger, Kincade, John,

Year:

2010

Language:

english

File:

PDF, 5.03 MB

english, 2010

10

Development of Embedded and Performance of Density Functional Methods for Molecular Crystals

Dolgonos, Grygoriy A, Loboda, Oleksandr A., Boese, A. Daniel

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 8.69 MB

english, 2017

11

How feeling connected to one’s own community can increase support for addressing injustice impacting outgroup communities

Neufeld, Katelin H. S., Gaucher, Danielle, Starzyk, Katherine B., Boese, Gregory D.

Journal:

Group Processes & Intergroup Relations

Year:

2018

Language:

english

File:

PDF, 326 KB

english, 2018

12

Efficient CO2 Insertion and Reduction Catalyzed by a Terminal Zinc Hydride Complex

Tüchler, Michael, Gärtner, Lisa, Fischer, Susanne, Boese, Adrian Daniel, Belaj, Ferdinand, Mösch-Zanetti, Nadia C.

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 1.03 MB

english, 2018

13

Towards hybrid density functional calculations of molecular crystals via fragment-based methods

Loboda, Oleksandr A., Dolgonos, Grygoriy A., Boese, A. Daniel

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 961 KB

english, 2018

14

Die überraschende Kristallpackung von Chlorfluorid

Prof. Dr. Roland Boese, A. Daniel Boese, Dipl.- Ing. Dieter Bläser, Prof. Dr. Michail Yu. Antipin, Dr. Arkadi Ellern, Prof. Dr. Konrad Seppelt

Journal:

Angewandte Chemie

Year:

1997

File:

PDF, 555 KB

1997

15

Strukturelle Charakterisierung eines basenstabilisierten [Zn2]2+-Kations

Stephan Schulz, Daniella Schuchmann, Ingo Krossing, Daniel Himmel, Dieter Bläser, Roland Boese

Journal:

Angewandte Chemie

Year:

2009

Language:

german

File:

PDF, 297 KB

german, 2009

16

The Surprising Crystal Packing of Chlorinefluoride

Prof. Dr. Roland Boese, A. Daniel Boese, Dipl.-Ing. Dieter Bláser, Prof. Dr. Michail Yu. Antipin, Dr. Arkadi Ellern, Prof. Dr. Konrad Seppelt

Journal:

Angewandte Chemie International Edition

Year:

1997

Language:

english

File:

PDF, 536 KB

english, 1997

17

Structural Characterization of a Base-Stabilized [Zn2]2+ Cation

Stephan Schulz, Daniella Schuchmann, Ingo Krossing, Daniel Himmel, Dieter Bläser, Roland Boese

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 297 KB

english, 2009

18

Darstellung, Reaktionen und Struktur von tert-Butyl(tert-butylimino)boran

Peter Paetzold, Christoph Von Plotho, Günter Schmid, Roland Boese, Bernhard Schrader, Daniel Bougeard, Uwe Pfeiffer, Rolf Gleiter, Wolfgang Schüfer

Journal:

European Journal of Inorganic Chemistry

Year:

1984

File:

PDF, 704 KB

1984

19

Accurate ab initio computation of thermochemical data for C3Hx species

Jorge Aguilera-Iparraguirre, A. Daniel Boese, Wim Klopper, Branko Ruscic

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 592 KB

english, 2008

20

Anharmonic force fields of perchloric acid, HClO4, and perchloric anhydride, Cl2O7. An extreme case of inner polarization

A. Daniel Boese, Jan M.L. Martin

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

21

C2 fragmentation energy of C60 revisited: theory disagrees with most experiments

A.Daniel Boese, Gustavo E. Scuseria

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 61 KB

english, 1998

22

Resonant tunneling through quantum dots

Teemu Pohjola, Daniel Boese, Herbert Schoeller, Jürgen König, Gerd Schön

Journal:

Physica B: Condensed Matter

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

23

Assessment of various density functionals and basis sets for the calculation of molecular anharmonic force fields

A. Daniel Boese, Wim Klopper, Jan M. L. Martin

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 209 KB

english, 2005

24

Synthesis and Crystal Structures of t-Butyl-Pyridine Adducts of ZnR2 (R = Me, i-Pr, t-Bu, Cp*)

Prof. Dr. Stephan Schulz, Raphaela Schäper, Daniel Krech, Daniella Schuchmann, Dieter Bläser, Roland Boese

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2011

Language:

english

File:

PDF, 310 KB

english, 2011

25

Strong Tunneling in Small Quantum Dots: Kondo Effect in Two Model Systems

Teemu Pohjola, Daniel Boese, Jürgen König, Herbert Schoeller, Gerd Schön

Journal:

Journal of Low Temperature Physics

Year:

2000

File:

PDF, 516 KB

2000

26

Predicting the binding energies of H-bonded complexes: A comparative DFT study

Tuma, Christian, Daniel Boese, A., Handy, Nicholas C.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 146 KB

english, 1999

27

Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride

Boese, A. Daniel, Jansen, Georg, Torheyden, Martin, Höfener, Sebastian, Klopper, Wim

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.42 MB

english, 2010

28

Electropolymerization on Microelectrodes: Functionalization Technique for Selective Protein and DNA Conjugation

Stern, Eric, Jay, Steven, Bertram, James, Boese, Benjamin, Kretzschmar, Ilona, Turner-Evans, Daniel, Dietz, Carl, LaVan, David A., Malinski, Tadeusz, Fahmy, Tarek

Journal:

Analytical Chemistry

Year:

2006

Language:

english

File:

PDF, 977 KB

english, 2006

29

Cyclopentadiene Alkylation and Nickel Complexes with Tri-, Tetra-, or Pentaisopropylcyclopentadienide or an Even Bulkier Lithium Alkylcyclopentadienide

Weismann, Daniel, Saurenz, Dirk, Boese, Roland, Bläser, Dieter, Wolmershäuser, Gotthelf, Sun, Yu, Sitzmann, Helmut

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 739 KB

english, 2011

30

Digital image analysis of Zostera marina leaf injury

Bruce L. Boese, Patrick J. Clinton, Danielle Dennis, Robert C. Golden, Bryan Kim

Journal:

Year:

2008

Language:

english

File:

PDF, 792 KB

english, 2008

31

Differentiation of small bowel and pancreatic neuroendocrine tumors by gene-expression profiling

Carr, Jennifer C., Boese, Erin A., Spanheimer, Philip M., Dahdaleh, Fadi S., Martin, Molly, Calva, Daniel, Schafer, Blanca, Thole, David M., Braun, Terry, O'Dorisio, Thomas M., O'Dorisio, M. Sue, Howe

Journal:

Year:

2012

Language:

english

File:

PDF, 125 KB

english, 2012

32

Basis Set Limit Coupled Cluster Study of H-Bonded Systems and Assessment of More Approximate Methods

Boese, A. Daniel, Martin, Jan M. L., Klopper, Wim

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 280 KB

english, 2007

33

Development of density functionals for thermochemical kinetics

Boese, A. Daniel, Martin, Jan M. L.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 536 KB

english, 2004

34

The role of the basis set: Assessing density functional theory

Boese, A. Daniel, Martin, Jan M. L., Handy, Nicholas C.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 500 KB

english, 2003

35

Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions †

Quintal, Miriam M., Karton, Amir, Iron, Mark A., Boese, A. Daniel, Martin, Jan M. L.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 165 KB

english, 2006

36

Accurate adsorption energies of small molecules on oxide surfaces: CO–MgO(001)

Boese, A. Daniel, Sauer, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.62 MB

english, 2013

37

Assessment of Coupled Cluster Theory and more Approximate Methods for Hydrogen Bonded Systems

Boese, A. Daniel

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 815 KB

english, 2013

38

Adsorption of Nitrogen-Containing Compounds on the (100) α-Quartz Surface: Ab Initio Cluster Approach

Tsendra, Oksana, Scott, Andrea Michalkova, Gorb, Leonid, Boese, A. Daniel, Hill, Frances C., Ilchenko, Mykola M., Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.00 MB

english, 2014

39

Cross-talk between amino acid residues and flavonoid derivatives: insights into their chemical recognition

Daniel Boese, A., Codorniu-Hernández, Edelsys

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.94 MB

english, 2012

40

Corrigendum to “IAC-11.E1-7.-A1.8.5 The Mission X: Train like an astronaut pilot study” [Acta Astronaut. 81 (2012) 77–82]

Lloyd, Charles W., Smith Hackler, Amanda, Garcia, Yamil, Olivotto, Cristina, Spiero, Francois, Boese, Andrea, Galoforo, Germana, Mukai, Chiaki, Sentse, Nicole, de Staerke, Danielle, Moussine-Pouchkine

Journal:

Acta Astronautica

Year:

2013

Language:

english

File:

PDF, 181 KB

english, 2013

41

Mesoscopic effects in tunneling between parallel quantum wires

Boese, Daniel, Governale, Michele, Rosch, Achim, Zülicke, Ulrich

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 451 KB

english, 2001

42

Addendum: Assessment of Coupled Cluster Theory and more Approximate Methods for Hydrogen Bonded Systems

Boese, A. Daniel

Journal:

Journal of Chemical Theory and Computation

Year:

2014

File:

PDF, 102 KB

2014

43

[2 + 2 + 2]Cycloadditions of Alkynes to Furans and Thiophenes: A Cobalt-Mediated "Enol Ether Walk"

Boese, Roland, Harvey, Daniel F., Malaska, Michael J., Vollhardt, K. Peter C.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 284 KB

english, 1994

44

Interaction Between Gold Atoms and Thio-Aryl Ligands on the Au(111) Surface

Tosoni, Sergio, Boese, A. Daniel, Sauer, Joachim

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.43 MB

english, 2011

45

Anharmonic force fields and thermodynamic functions using density functional theory

Daniel Boese, A., Klopper, Wim, Martin *, Jan M. L.

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 204 KB

english, 2005

46

Rozen's Epoxidation Reagent, CH 3 CN·HOF: A Theoretical Study of Its Structure, Vibrational Spectroscopy, and Reaction Mechanism †

Sertchook, Rotem, Boese, A. Daniel, Martin, Jan M. L.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 116 KB

english, 2006

47

Vibrational Spectra of the Azabenzenes Revisited: Anharmonic Force Fields †

Boese, A. Daniel, Martin, Jan M. L.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 96 KB

english, 2004

48

MMH-2 as a new approach for the prediction of intermolecular interactions: the crystal packing of acetamide

Codorniu-Hernández, Edelsys, Boese, A. Daniel, Schauerte, Carsten, Rolo-Naranjo, Alberto, Miranda-Quintana, Ramón, Montero-Cabrera, Luis A., Boese, Roland

Journal:

Year:

2009

Language:

english

File:

PDF, 1.89 MB

english, 2009

49

Constructing simple yet accurate potentials for describing the solvation of HCl/waterclusters in bulk helium and nanodroplets

Daniel Boese, A., Forbert, Harald, Masia, Marco, Tekin, Adem, Marx, Dominik, Jansen, Georg

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.52 MB

english, 2011

50

From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia

Boese, A. Daniel, Chandra, Amalendu, Martin, Jan M. L., Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 532 KB

english, 2003