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1

Polyurethane adhesives containing Diels-Alder-based thermoreversible bonds

Turkenburg, Daniël Hendrik, van Bracht, Henk, Funke, Björn, Schmider, Martin, Janke, Doreen, Fischer, Hartmut Rudolf

Journal:

Journal of Applied Polymer Science

Year:

2017

Language:

english

File:

PDF, 1.22 MB

english, 2017

2

Nodal structure of the electronic Wigner function of many-electron atoms and molecules

Hartmut Schmider, Jens Peder Dahl

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 1.03 MB

english, 1996

3

Shannon entropy of chemical changes: SN2 displacement reactions

Minhhuy Hô, Hartmut L. Schmider, Donald F. Weaver, Vedene H. Smith Jr., Robin P. Sagar, Rodolfo O. Esquivel

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 391 KB

english, 2000

4

Potential energy surfaces for the collinear H3+ system

Beiyan Jin, Hartmut L. Schmider, David Wardlaw

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 315 KB

english, 2000

5

Analysis of chemical bonding in electronic excited states using parity function

Eugene S. Kadantsev, Hartmut L. Schmider

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 411 KB

english, 2008

6

Topological analysis of valence electron charge distributions from semiempirical and ab initio methods

Minhhuy HÔ, Hartmut Schmider, Kenneth E. Edgecombe, Vedene H. Smith Jr

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 595 KB

english, 1994

7

Measures of distance for atomic charge and momentum densities and their relationship to physical properties

Minhhuy Hô, Robin P. Sagar, Hartmut Schmider, Donald F. Weaver, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 469 KB

english, 1995

8

A spherically averaged representation of the atomic one-particle reduced density matrix

Hartmut Schmider, Vedene H. Smith

Journal:

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

Year:

1993

Language:

english

File:

PDF, 577 KB

english, 1993

9

On the coordination chemistry of corannulene, the smallest “buckybowl”

Michael W. Stoddart, John H. Brownie, Michael C. Baird, Hartmut L. Schmider

Journal:

Journal of Organometallic Chemistry

Year:

2005

Language:

english

File:

PDF, 263 KB

english, 2005

10

Atomic moment densities in position and momentum spaces

Hartmut Schmider, Robin P. Sagar, Vedene H. Smith

Journal:

Journal of Chemical Sciences

Year:

1994

Language:

english

File:

PDF, 488 KB

english, 1994

11

Optimized density functionals from the extended G2 test set

Schmider, Hartmut L., Becke, Axel D.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 371 KB

english, 1998

12

Syntheses, Structures, and Fluxionality of Blue Luminescent Zinc(II) Complexes: Zn(2,2‘,2‘ ‘-tpa)Cl 2 , Zn(2,2‘,2‘ ‘-tpa) 2 (O 2 CCF 3 ) 2 , and Zn(2,2‘,3‘ ‘-tpa) 4 (O 2 CCF 3 ) 2 (tpa = Tripyridylamine)

Yang, Wenyu, Schmider, Hartmut, Wu, Qingguo, Zhang, You-sheng, Wang, Suning

Journal:

Inorganic Chemistry

Year:

2000

Language:

english

File:

PDF, 219 KB

english, 2000

13

Two functions of the density matrix and their relation to the chemical bond

Schmider, Hartmut L., Becke, Axel D.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 536 KB

english, 2002

14

Tuning the Luminescence and Electroluminescence of Diphenylboron Complexes of 5-Substituted 2-(2‘-Pyridyl)indoles

Liu, Qinde, Mudadu, Maria S., Schmider, Hartmut, Thummel, Randolph, Tao, Ye, Wang, Suning

Journal:

Organometallics

Year:

2002

Language:

english

File:

PDF, 211 KB

english, 2002

15

Novel Blue Phosphorescent Group 15 Compounds MR 3 (M = P, Sb, Bi; R = p -( N -7-Azaindolyl)phenyl)

Kang, Youngjin, Song, Datong, Schmider, Hartmut, Wang, Suning

Journal:

Organometallics

Year:

2002

Language:

english

File:

PDF, 468 KB

english, 2002

16

Syntheses, Structures, and Electroluminescence of New Blue/Green Luminescent Chelate Compounds: Zn(2-py-in) 2 (THF), BPh 2 (2-py-in), Be(2-py-in) 2 , and BPh 2 (2-py-aza) [2-py-in = 2-(2-pyridyl)indole; 2-py-aza = 2-(2-pyridyl)-7-azaindole]

Liu, Shi-Feng, Wu, Qingguo, Schmider, Hartmut L., Aziz, Hany, Hu, Nan-Xing, Popović, Zoran, Wang, Suning

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 144 KB

english, 2000

17

Blue Luminescent Organoaluminum Compounds: Al 2 (CH 3 ) 4 (7-azain) 2 , Al 2 (CH 3 ) 2 (7-azain) 4 , Al 2 (CH 3 )(OCH(CF 3 ) 2 ) 3 (7-azain) 2 , Al 2

Ashenhurst, James, Brancaleon, Lorenzo, Hassan, Abdi, Liu, Wang, Schmider, Hartmut, Wang, Suning, Wu, Qingguo

Journal:

Organometallics

Year:

1998

Language:

english

File:

PDF, 209 KB

english, 1998

18

New Complexes of Methyldiphenylphosphonium Cyclopentadienylide, Representative of a Class of Ligands Heretofore Much Neglected

Brownie, John H., Baird, Michael C., Schmider, Hartmut

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 392 KB

english, 2007

19

Isomerism of Bis(7-azaindolyl)methane

Song, Datong, Schmider, Hartmut, Wang, Suning

Journal:

Organic Letters

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

20

Blue Luminescent Organoaluminum Compounds: Al(CH 3 ) 2 (dpa), Al 2 (CH 3 ) 5 (dpa) 2 , Al 4 (O) 2 (CH 3 ) 6 (dpa) 2 , and Al(pfap) 3 , dpa = Deprotonated Di-2-pyridylamine, pfap = Deprotonated 2-Pentafluoroanilinopyridine

Ashenhurst, James, Brancaleon, Lorenzo, Gao, Shu, Liu, Wang, Schmider, Hartmut, Wang, Suning, Wu, Gang, Wu, Q. G.

Journal:

Organometallics

Year:

1998

Language:

english

File:

PDF, 283 KB

english, 1998

21

An investigation of atomic structure in position and momentum space by means of "ideal shells"

Schmider, Hartmut, Sagar, Robin P., Smith Jr., Vedene H.

Journal:

Canadian Journal of Chemistry

Year:

1992

Language:

english

File:

PDF, 381 KB

english, 1992

22

Directional Compton profiles and reciprocal form factors for the isoelectronic hydrides PH 3 , H 2 S and HCl

Tripathi, Awadh N, Schmider, Hartmut L, Smith, Vedene H

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2003

Language:

english

File:

PDF, 157 KB

english, 2003

23

Topological analysis of electron momentum densities and the bond directional principle: the first-row hydrides, AH, and homonuclear diatomic molecules, A 2

Wang, Jiahu, Clark, B. James, Schmider, Hartmut, Smith, Vedene H.

Journal:

Canadian Journal of Chemistry

Year:

1996

Language:

english

File:

PDF, 313 KB

english, 1996

24

A parity function for studying the molecular electronic structure

Schmider, Hartmut

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 463 KB

english, 1996

25

Does the atomic structure factor show atomic structure?

Schmider, Hartmut, Sagar, Robin P., Smith, Vedene H.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 644 KB

english, 1991

26

One-particle density matrices along the molecular bonds in linear molecules

Schmider, Hartmut, Edgecombe, Kenneth E., Smith, Vedene H., Weyrich, Wolf

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.01 MB

english, 1992

27

Density differences for near-Hartree-Fock atomic wave functions

Schmider, Hartmut, Sagar, Robin P., Smith, Vedene H.

Journal:

Physical Review A

Year:

1994

Language:

english

File:

PDF, 155 KB

english, 1994

28

Computation of Compton profiles in a weak laser field

Schmider, Hartmut, Smith, Vedene H.

Journal:

Physical Review A

Year:

1996

Language:

english

File:

PDF, 183 KB

english, 1996

29

Nonconvexity of the atomic charge density and shell structure

Angulo, Juan C., Schmider, Hartmut, Sagar, Robin P., Smith, Vedene H.

Journal:

Physical Review A

Year:

1994

Language:

english

File:

PDF, 161 KB

english, 1994

30

On the determination of atomic shell boundaries

Schmider, Hartmut, Sagar, Robin P., Smith, Vedene H.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 409 KB

english, 1991

31

Asymptotic approximations from quadrature rules

Sagar, Robin P., Schmider, Hartmut, Smith, Vedene H.

Journal:

Physical Review A

Year:

1992

Language:

english

File:

PDF, 243 KB

english, 1992

32

Electron correlation and the eigenvalues of the one-matrix

Smith, Garry T., Schmider, Hartmut L., Smith, Vedene H.

Journal:

Physical Review A

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

33

Reconstruction of the one-particle density matrix from expectation values in position and momentum space

Schmider, Hartmut, Smith, Vedene H., Weyrich, Wolf

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 967 KB

english, 1992

34

Density functionals from the extended G2 test set: Second-order gradient corrections

Schmider, Hartmut L., Becke, Axel D.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 473 KB

english, 1998

35

Nonmonotonicity of the atomic electron momentum density

Sagar, Robin P., Esquivel, Rodolfo O., Schmider, Hartmut, Tripathi, Awadh N., Smith, Vedene H.

Journal:

Physical Review A

Year:

1993

Language:

english

File:

PDF, 114 KB

english, 1993

36

‘‘Low-momentum electrons’’ and the electronic structure of small molecules

Schmider, Hartmut

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 466 KB

english, 1996

37

Comment on “Cusp relations for local strongly decaying properties in electronic systems”

Wang, Jiahu, Schmider, Hartmut L., Smith, Vedene H.

Journal:

Physical Review A

Year:

2000

Language:

english

File:

PDF, 31 KB

english, 2000

38

Molecular Networks in Position, Momentum, and Phase Space: A Case Study on Simple Hydrocarbons

Schmider, Hartmut, Hô, Minhhuy

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 660 KB

english, 1996

39

On the Inference of the One-Particle Density Matrix from Position and Momentum-Space Form Factors

Schmider, Hartmut, Smith, Jr., Vedene H., Weyrich, Wolf

Journal:

Zeitschrift für Naturforschung A

Year:

1993

Language:

english

File:

PDF, 8.83 MB

english, 1993

40

Wigner Functions and Bond Orders

Schmider, Hartmut

Journal:

Zeitschrift für Physikalische Chemie

Year:

2006

Language:

english

File:

PDF, 1.11 MB

english, 2006

41

A Hybrid Double-Layer Master-Slave Model For Multicore-Node Clusters

Liu, Gang, Schmider, Hartmut, Edgecombe, Kenneth E

Journal:

Journal of Physics Conference Series

Year:

2012

Language:

english

File:

PDF, 622 KB

english, 2012

42

Atomic Orbitals from Compton Profiles

Schmider, Hartmut, Smith, Jr., Vedene H.

Journal:

Zeitschrift für Naturforschung A

Year:

1993

Language:

english

File:

PDF, 737 KB

english, 1993

43

Decline in acute upper gastrointestinal bleeding during Covid-19 pandemic after lockdown in Austria

Schmiderer, Andreas, Schwaighofer, Hubert, Niederreiter, Lukas, Profanter, Christoph, Steinle, Hartmut, Ziachehabi, Alexander, Tilg, Herbert

Journal:

Year:

2020

File:

PDF, 468 KB

2020