Hehre, E. J. : rechercher sur Z-Library

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1

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

Journal:

The Journal of Chemical Physics

Année:

1969

Langue:

english

Fichier:

PDF, 747 KB

english, 1969

2

Margarethe von Trotta as Filmmaker: Biographical Retrospectives; Margarethe von Trotta. Filmmaking as Liberation; Margarethe von Trotta: Filmen, um zu uberleben;

Eifler, Margret, Hehr, Renate, Wydra, Thilo

Journal:

The German Quarterly

Année:

2003

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2003

3

Individualization of post-mastectomy radiotherapy and regional nodal irradiation based on treatment response after neoadjuvant chemotherapy for breast cancer; Individualisierung von Post-Mastektomie-Radiotherapie und regionärer Lymphknotenbestrahlung anhand des Therapieansprechens nach neoadjuvanter Chemotherapie bei Brustkrebs;

Krug, David, Baumann, René, Budach, Wilfried, Dunst, Jürgen, Feyer, Petra, Fietkau, Rainer, Haase, Wulf, Harms, Wolfgang, Hehr, Thomas, Piroth, Marc D., Sedlmayer, Felix, Souchon, Rainer, Wenz, Freder

Journal:

Strahlentherapie und Onkologie

Année:

2018

Langue:

english

Fichier:

PDF, 412 KB

english, 2018

4

Self-Consistent Molecular Orbital Methods. XIV. An Extended Gaussian-Type Basis for Molecular Orbital Studies of Organic Molecules. Inclusion of Second Row Elements

Hehre, Warren J.

Journal:

The Journal of Chemical Physics

Année:

1972

Langue:

english

Fichier:

PDF, 472 KB

english, 1972

5

Origin and age of the Manila high and associated Big Lake "sunklands" in the New Madrid seismic zone, northeastern Arkansas

Guccione, M. J., Van Arsdale, R. B., Hehr, L. H.

Journal:

Base of the Kiaman Its definition and global stratigraphic significance

Année:

2000

Fichier:

PDF, 196 KB

2000

6

The Use of Botulinum Toxin in Pain Management

Hehr, Jason D., Schoenbrunner, Anna R., Janis, Jeffrey E

Journal:

Plastic & Reconstructive Surgery

Année:

2020

Langue:

english

Fichier:

PDF, 211 KB

english, 2020

7

Molecular orbital theory of the properties of inorganic and organometallic compounds. 3. STO-3G basis sets for first- and second-row transition metals

William J. Pietro, Warren J. Hehre

Journal:

Journal of Computational Chemistry

Année:

1983

Langue:

english

Fichier:

PDF, 739 KB

english, 1983

8

Geometry optimization in cartesian coordinates: The end of the Z-matrix?

Jon Baker, Warren J. Hehre

Journal:

Journal of Computational Chemistry

Année:

1991

Langue:

english

Fichier:

PDF, 511 KB

english, 1991

9

External beam radiotherapy as postoperative treatment of diffuse pigmented villonodular synovitis

Bernhard Berger, Ute Ganswindt, Michael Bamberg, Thomas Hehr

Journal:

International Journal of Radiation Oncology*Biology*Physics

Année:

2007

Langue:

english

Fichier:

PDF, 89 KB

english, 2007

10

Familial West syndrome and dystonia caused by an Aristaless related homeobox gene mutation

Gabriele Wohlrab, Goekhan Uyanik, Claudia Gross, Ute Hehr, Jürgen Winkler, Bernhard Schmitt, Eugen Boltshauser

Journal:

European Journal of Pediatrics

Année:

2005

Langue:

english

Fichier:

PDF, 213 KB

english, 2005

11

Computation of electron repulsion integrals involving contracted Gaussian basis functions

John A Pople, Warren J Hehre

Journal:

Journal of Computational Physics

Année:

1978

Langue:

english

Fichier:

PDF, 460 KB

english, 1978

12

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Journal:

The Journal of Chemical Physics

Année:

1972

Langue:

english

Fichier:

PDF, 530 KB

english, 1972

13

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

Binkley, J. Stephen, Pople, John A., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1980

Langue:

english

Fichier:

PDF, 977 KB

english, 1980

14

An ab initio molecular orbital theory and density functional theory study of the conformational free energies of methyltetrahydro-2H-thiopyrans

F Freeman, W.J Hehre

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2000

Langue:

english

Fichier:

PDF, 208 KB

english, 2000

15

Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions

Pople, John A., Radom, Leo, Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1971

Langue:

english

Fichier:

PDF, 1.22 MB

english, 1971

16

Hahnemann and nutrition

Journal:

British Homeopathic Journal

Année:

1981

Langue:

english

Fichier:

PDF, 289 KB

english, 1981

17

Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

Gordon, Mark S., Binkley, J. Stephen, Pople, John A., Pietro, William J., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1982

Langue:

english

Fichier:

PDF, 793 KB

english, 1982

18

Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes

Hehre, Warren J., Radom, Leo, Pople, John A.

Journal:

Journal of the American Chemical Society

Année:

1972

Langue:

english

Fichier:

PDF, 1001 KB

english, 1972

19

Thermochemical stabilities and vibrational spectra of isomers of the chlorine oxide dimer

McGrath, M. P., Clemitshaw, K. C., Rowland, F. S., Hehre, W. J.

Journal:

Geophysical Research Letters

Année:

1988

Langue:

english

Fichier:

PDF, 427 KB

english, 1988

20

Modeling chemical reactivity. 7. The effect of a change in rate-limiting step on the stereoselectivity of electrophilic addition to allylic alcohols and related chiral alkenes

Chamberlin, A. Richard, Mulholland, Robert L., Kahn, Scott D., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1987

Langue:

english

Fichier:

PDF, 790 KB

english, 1987

21

Theoretical approaches to rearrangements in carbocations. II. Degenerate rearrangements in bicyclo[3.1.0]hexenyl and homotropylium cations. Stability of homoaromatic molecules

Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1974

Langue:

english

Fichier:

PDF, 1.27 MB

english, 1974

22

Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation

Hehre, Warren J., Ditchfield, R., Radom, L., Pople, John A.

Journal:

Journal of the American Chemical Society

Année:

1970

Langue:

english

Fichier:

PDF, 685 KB

english, 1970

23

A Comparison of the ab Initio Calculated and Experimental Conformational Energies of Alkylcyclohexanes

Kasner, Marc L., Freeman, Fillmore, Tsegai, Zufan M., Hehre, Warren J.

Journal:

Journal of Chemical Education

Année:

2000

Langue:

english

Fichier:

PDF, 214 KB

english, 2000

24

Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basis

Hehre, Warren J., Pople, John A.

Journal:

Journal of the American Chemical Society

Année:

1970

Langue:

english

Fichier:

PDF, 695 KB

english, 1970

25

Modeling chemical reactivity. 5. Facial selectivity in Diels-Alder cycloadditions

Kahn, S. D., Hehre, W. J.

Journal:

Journal of the American Chemical Society

Année:

1987

Langue:

english

Fichier:

PDF, 997 KB

english, 1987

26

Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds

Hoffmann, Roald., Imamura, Akira., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1968

Langue:

english

Fichier:

PDF, 1.23 MB

english, 1968

27

Molecular orbital theory of the properties of inorganic and organometallic compounds. 1. STO-NG basis sets for third-row main-group elements

Pietro, William J., Levi, Beverly A., Hehre, Warren J., Stewart, Robert F.

Journal:

Inorganic Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 677 KB

english, 1980

28

Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules

Journal:

The Journal of Chemical Physics

Année:

1970

Langue:

english

Fichier:

PDF, 551 KB

english, 1970

29

A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials

Hehre, Warren J., Pau, Chin Fong., Headley, Allan D., Taft, Robert W., Topsom, Ronald D.

Journal:

Journal of the American Chemical Society

Année:

1986

Langue:

english

Fichier:

PDF, 295 KB

english, 1986

30

Dichlorocarbene

Levi, Beverly A., Taft, Robert W., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1977

Langue:

english

Fichier:

PDF, 227 KB

english, 1977

31

Hartree-Fock descriptions of 1,3-dipoles. Zwitterions, 1,3-diradicals, or hypervalent species?

Kahn, S. D., Hehre, W. J., Pople, J. A.

Journal:

Journal of the American Chemical Society

Année:

1987

Langue:

english

Fichier:

PDF, 346 KB

english, 1987

32

Benzyl cation. A long-lived species in the gas phase?

Abbound, Jose L. M., Hehre, Warren J., Taft, Robert W.

Journal:

Journal of the American Chemical Society

Année:

1976

Langue:

english

Fichier:

PDF, 286 KB

english, 1976

33

Isotope effects on gas phase reaction processes. I. The determination of equilibrium isotope effects by ion cyclotron resonance spectroscopy

Wolf, J. Frederick, Devlin, John L, Taft, Robert W., Wolfsberg, Max, Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1976

Langue:

english

Fichier:

PDF, 403 KB

english, 1976

34

The separation of polarizability and inductive effects in gas- and solution-phase proton-transfer equilibriums

Taft, Robert W., Taagepera, M., Abbound, J. L. M., Wolf, J. F., DeFrees, D. J., Hehre, W. J., Bartmess, J. E., McIver, R. T.

Journal:

Journal of the American Chemical Society

Année:

1978

Langue:

english

Fichier:

PDF, 416 KB

english, 1978

35

Gas-phase basicities of substituted anilines. Inferences about the role of solvent in dictating site of protonation

Summerhays, Kim D., Pollack, Steven K., Taft, Robert W., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1977

Langue:

english

Fichier:

PDF, 395 KB

english, 1977

36

Kinetic detection of common intermediates in gas phase ion-molecule reactions

Pollack, Steven K., Wolf, J. Fredrick, Levi, Beverly A., Taft, Robert W., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1977

Langue:

english

Fichier:

PDF, 446 KB

english, 1977

37

Homoaromatic stability

Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1973

Langue:

english

Fichier:

PDF, 397 KB

english, 1973

38

The site of protonation in aniline

Pollack, Steven K., Devlin, John L., Summerhays, Kim D., Taft, Robert W., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Année:

1977

Langue:

english

Fichier:

PDF, 257 KB

english, 1977

39

The relationship between substituent-induced energy and charge effects in proton-transfer equilibriums

Hehre, Warren J., Taagepera, Mare, Taft, Robert W., Topsom, Ronald D.

Journal:

Journal of the American Chemical Society

Année:

1981

Langue:

english

Fichier:

PDF, 732 KB

english, 1981

40

Atomic electron populations by molecular orbital theory

Hehre, W. J., Stewart, R. F., Pople, J. A.

Journal:

Symposia of the Faraday Society

Année:

1968

Langue:

english

Fichier:

PDF, 549 KB

english, 1968

41

Paternal inheritance of classic X-linked bilateral periventricular nodular heterotopia

Kasper, Burkhard S., Kurzbuch, Katrin, Chang, Bernard S., Pauli, Elisabeth, Hamer, Hajo M., Winkler, Jürgen, Hehr, Ute

Journal:

American Journal of Medical Genetics Part A

Année:

2013

Langue:

english

Fichier:

PDF, 590 KB

english, 2013

42

ARX mutations in X-linked lissencephaly with abnormal genitalia

Uyanik, G., Aigner, L., Martin, P., Gross, C., Neumann, D., Marschner-Schafer, H., Hehr, U., Winkler, J.

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 350 KB

english, 2003

43

Embedded carbon nanotube thread piezoresistive strain sensor performance

Hehr, Adam, Schulz, Mark, Shanov, Vesselin, Song, Yi

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 535 KB

english, 2014

44

Oral Diadochokinesis in Neurological Dysarthrias

Ackermann, Hermann, Hertrich, Ingo, Hehr, Thomas

Journal:

Folia Phoniatrica et Logopaedica

Année:

1995

Fichier:

PDF, 1.43 MB

1995

45

Isomers of nitric acid and chlorine nitrate

McGrath, M. P., Francl, M. M., Rowland, F. S., Hehre, W. J.

Journal:

Journal of Physical Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 810 KB

english, 1988

46

Structures, relative stabilities, and vibrational spectra of isomers of chlorine oxide dimer (Cl2O2): the role of the chlorine oxide dimer in antarctic ozone depleting mechanisms

McGrath, M. P., Clemitshaw, K. C., Rowland, F. S., Hehre, W. J.

Journal:

Journal of Physical Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 945 KB

english, 1990

47

Five-Axis Ultrasonic Additive Manufacturing for Nuclear Component Manufacture

Hehr, Adam, Wenning, Justin, Terrani, Kurt, Babu, Sudarsanam Suresh, Norfolk, Mark

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Année:

2017

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2017

48

ChemInform Abstract: DEGENERATE REARRANGEMENT IN HOMOCYCLOPROPENYL CATION, VIOLATION OF ORBITAL SYMMETRY CONTROL FOR A SIGMATROPIC MIGRATION

DEVAQUET, ALAIN J. P., HEHRE, WARREN J.

Journal:

Chemischer Informationsdienst

Année:

1974

Fichier:

PDF, 92 KB

1974

49

OC-0598: FDG-PET-guided target volume reduction for isotoxic dose escalation in LA NSCLC (PET-Plan study)

Nestle, U., Schimek-Jasch, T., Kremp, S., Schaefer-Schuler, A., Kuesters, A., Tosch, M., Hehr, T., Eschmann, S., Bultel, Y., Hass, P., Brunner, T., Fleckenstein, J., Thieme, A., Stockinger, M., Mieder

Journal:

Radiotherapy and Oncology

Année:

2018

Langue:

english

Fichier:

PDF, 578 KB

english, 2018

50

Neoadjuvant chemotherapy for breast cancer—background for the indication of locoregional treatment; Neoadjuvante Chemotherapie bei Mammakarzinom – Grundlagen für die Indikation zur lokoregionären Behandlung;

Krug, David, Baumann, René, Budach, Wilfried, Dunst, Jürgen, Feyer, Petra, Fietkau, Rainer, Haase, Wulf, Harms, Wolfgang, Hehr, Thomas, Piroth, Marc D., Sedlmayer, Felix, Souchon, Rainer, Wenz, Freder

Journal:

Strahlentherapie und Onkologie

Année:

2018

Langue:

english

Fichier:

PDF, 284 KB

english, 2018