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1

Computation of electron repulsion integrals involving contracted Gaussian basis functions

John A Pople, Warren J Hehre

Journal:

Journal of Computational Physics

Year:

1978

Language:

english

File:

PDF, 460 KB

english, 1978

2

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

Year:

1980

Language:

english

File:

PDF, 977 KB

english, 1980

3

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

Year:

1971

Language:

english

File:

PDF, 1.22 MB

english, 1971

4

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

Year:

1982

Language:

english

File:

PDF, 793 KB

english, 1982

5

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

Year:

1970

Language:

english

File:

PDF, 685 KB

english, 1970

6

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

Year:

1970

Language:

english

File:

PDF, 695 KB

english, 1970

7

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

Year:

1976

Language:

english

File:

PDF, 403 KB

english, 1976

8

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

Year:

1977

Language:

english

File:

PDF, 257 KB

english, 1977

9

Hydrolysis of α- and β-d-glucosyl fluoride by individual glucosidases: new evidence for separately controlled “plastic” and “conserved” phases in glycosylase catalysis

Hirokazu Matsui, Yoshimasa Tanaka, Curtis F. Brewer, John S. Blanchard, Edward J. Hehre

Journal:

Carbohydrate Research

Year:

1993

Language:

english

File:

PDF, 829 KB

english, 1993

10

Geometrical preferences of the crotyl anion, radical and cation

Paul v.R. Schleyer, James D. Dill, John A. Pople, Warren J. Hehre

Journal:

Year:

1977

Language:

english

File:

PDF, 461 KB

english, 1977

11

LAKE BREEZES AND SUMMER RAINFALL

JAY R. HARMAN, JOHN G. HEHR

Journal:

Annals of the Association of American Geographers

Year:

1972

Language:

english

File:

PDF, 1.01 MB

english, 1972

12

Dendroclimatic Relationships of Post Oak Across a Precipitation Gradient in the Southcentral United States

David W. Stahle, John G. Hehr

Journal:

Annals of the Association of American Geographers

Year:

1984

Language:

english

File:

PDF, 1017 KB

english, 1984

13

Long tree-rings

STAHLE, DAVID W., CLEAVELAND, MALCOLM K., HEHR, JOHN G., BRIFFA, KEITH R.

Journal:

Year:

1990

File:

PDF, 128 KB

1990

14

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

Year:

1972

Language:

english

File:

PDF, 1001 KB

english, 1972

15

Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanes

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

Journal:

Journal of the American Chemical Society

Year:

1973

Language:

english

File:

PDF, 656 KB

english, 1973

16

Effect of electron correlation on theoretical equilibrium geometries

DeFrees, Douglas J., Levi, Beverly A., Pollack, Steven K., Hehre, Warren J., Binkley, J. Stephen, Pople, John A.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 576 KB

english, 1979

17

Alkyl Substituent effects on the stability of protonated benzene

Hehre, Warren J., McIver, Robert T., Pople, John A., Schleyer, Paul v. R.

Journal:

Journal of the American Chemical Society

Year:

1974

Language:

english

File:

PDF, 286 KB

english, 1974

18

Molecular orbital theory of the electronic structure of organic compounds. XXVI. Geometries, energies and polarities of C4 hydrocarbons

Hehre, Warren J., Pople, John A.

Journal:

Journal of the American Chemical Society

Year:

1975

Language:

english

File:

PDF, 1.60 MB

english, 1975

19

Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons

Pople, John A., Lathan, William A., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1971

Language:

english

File:

PDF, 884 KB

english, 1971

20

Molecular orbital theory of the electronic structure of organic compounds. XVIII. Conformations and stabilities of trisubstituted methanes

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

Journal:

Journal of the American Chemical Society

Year:

1973

Language:

english

File:

PDF, 518 KB

english, 1973

21

Molecular orbital theory of the electronic structure of organic compounds. XV. Protonation of benzene

Hehre, Warren J., Pople, John A.

Journal:

Journal of the American Chemical Society

Year:

1972

Language:

english

File:

PDF, 486 KB

english, 1972

22

Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules

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

Journal:

Journal of the American Chemical Society

Year:

1972

Language:

english

File:

PDF, 994 KB

english, 1972

23

Orbital interaction in amino-ketones

Levin, Charles C., Hoffmann, Roald, Hehre, Warren J., Hudec, John

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1973

Language:

english

File:

PDF, 1.19 MB

english, 1973

24

Strong conformational consequences of hyperconjugation

Hoffmann, Roald, Radom, Leo, Pople, John A., Schleyer, Paul v. R., Hehre, Warren J., Salem, Lionel

Journal:

Journal of the American Chemical Society

Year:

1972

Language:

english

File:

PDF, 366 KB

english, 1972

25

Torsional potentials of methyl rotors attached to polar linkages

Hehre, Warren J., Pople, John A., Devaquet, Alain J. P.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 589 KB

english, 1976

26

Isotope effects on gas phase reaction processes. 2. Equilibrium isotope effects on the proton transfer reactions of methylbenzenes

Wolf, J. Fredrick, Devlin, John L., DeFrees, Douglas J., Taft, Robert W., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 591 KB

english, 1976

27

The proton affinities of toluene

Devlin, John L., Wolf, J. Fredrick, Taft, Robert W., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 387 KB

english, 1976

28

Correlation of STO-3G calculated substituent effects on the proton affinity of benzene with .sigma.+ parameters

McKelvey, John M., Alexandratos, Spiro, Streitwieser, Andrew, Abboud, Jose L. M., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 379 KB

english, 1976

29

Effect of metal complexation on the gas-phase acidities of alkylbenzenes

Kahn, Scott D., Hehre, Warren J., Bartmess, John E., Caldwell, Gary

Journal:

Organometallics

Year:

1984

Language:

english

File:

PDF, 695 KB

english, 1984

30

Effect of electron correlation on atomic electron populations

Carpenter, John E., McGrath, Mark P., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 363 KB

english, 1989

31

Gas phase acidities of the 2-butenes. The use of organometallics as models for free carbanions

Bartmess, John E., Hehre, Warren J., McIver, Robert T., Overman, Larry E.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 285 KB

english, 1977

32

In support of anionic hyperconjugation. The versatile methyl group

DeFrees, Douglas J., Bartmess, John E., Kim, Jhong K., McIver, Robert T., Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 299 KB

english, 1977

33

Molecular orbital calculations on carbonium ions. III. Barriers in ethyl cations

Williams, James Earl., Buss, Volker., Allen, Leland Cullen., Schleyer, Paul von R., Lathan, William A., Hehre, Warren J., Pople, John A.

Journal:

Journal of the American Chemical Society

Year:

1970

Language:

english

File:

PDF, 395 KB

english, 1970

34

Inversion barriers in para-substituted anilines from ab initio molecular orbital theory

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

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1972

Language:

english

File:

PDF, 202 KB

english, 1972

35

Effects of Intermittent Nebulization of NONOate, DPTA/NO, on Group B Streptococcus-Induced Pulmonary Hypertension in Newborn Piglets

Dabrowska, Katarzyna, Hehre, Dorothy, Ladino, John, Bancalari, Eduardo, Suguihara, Cleide

Journal:

Year:

2011

Language:

english

File:

PDF, 169 KB

english, 2011

36

The Effect of Escherichia coli Endotoxin Infusion on the Ventilatory Response to Hypoxia in Unanesthetized Newborn Piglets

McDeigan, Gwendolyn E, Ladino, John, Hehre, Dorothy, Devia, Carlos, Bancalari, Eduardo, Suguihara, Cleide

Journal:

Pediatric Research

Year:

2003

Language:

english

File:

PDF, 138 KB

english, 2003

37

Prevalence and nonrandom distribution of exonic mutations in interferon regulatory factor 6 in 307 families with Van der Woude syndrome and 37 families with popliteal pterygium syndrome

de Lima, Renata L L Ferreira, Hoper, Sarah A, Ghassibe, Michella, Cooper, Margaret E, Rorick, Nicholas K, Kondo, Shinji, Katz, Lori, Marazita, Mary L, Compton, John, Bale, Sherri, Hehr, Ute, Dixon, Mi

Journal:

Genetics in Medicine

Year:

2009

Language:

english

File:

PDF, 1.44 MB

english, 2009

38

Effect of Cyclooxygenase Inhibition on Retinal and Choroidal Blood Flow during Hypercarbia in Newborn Piglets

Stiris, Tom, Suguihara, Cleide, Hehre, Dorothy, Goldberg, Ronald N, Flynn, John, Bancalari, Eduardo

Journal:

Pediatric Research

Year:

1992

Language:

english

File:

PDF, 511 KB

english, 1992

39

Effects of a Nebulized NONOate, DPTA/NO, on Group B Streptococcus–Induced Pulmonary Hypertension in Newborn Piglets

Dabrowska, Katarzyna, Hehre, Dorothy, Young, Karen C, Navarette, Cristina, Ladino, John F, Bancalari, Eduardo, Suguihara, Cleide

Journal:

Pediatric Research

Year:

2005

Language:

english

File:

PDF, 374 KB

english, 2005

40

The Effect of a Nebulized NO Donor, DPTA/NO, on Acute Hypoxic Pulmonary Hypertension in Newborn Piglets

Young, Karen C., Ladino, John, Navarrete, Cristina, Dabrowska, Katarzyna, Hehre, Dorothy, Bancalari, Eduardo, Suguihara, Cleide

Journal:

Biology of the Neonate

Year:

2004

Language:

english

File:

PDF, 128 KB

english, 2004

41

etiologic aspects of failure of continuous lumbar peribural anesthesia

HEHRE, FREDERICK W., SAYIG, JOHN M., LOWMAN, ROBERT M.

Journal:

Anesthesia & Analgesia

Year:

1960

Language:

english

File:

PDF, 3.82 MB

english, 1960

42

ANESTHETIC CONSIDERATIONS FOR COMPLICATED OBSTETRICS

DANIELS, JOHN C., HEHRE, FREDERICK W., Fischer, Diana B., Miller, Irving

Journal:

Anesthesia & Analgesia

Year:

1967

Language:

english

File:

PDF, 1.10 MB

english, 1967

43

THE SEROLOGICAL ACTIVITY OF DEXTRANS

Hehre, Edward J., Sugg, John Y., Neill, James M.

Journal:

Annals of the New York Academy of Sciences

Year:

1952

Language:

english

File:

PDF, 252 KB

english, 1952

44

Selection of configurations for parameterization of two-body interaction potentials

Carpenter, John E., Yets, Willis T., Carpenter, Ilene Locker., Hehre, Warren J.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 616 KB

english, 1990

45

SPIE Proceedings [SPIE SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring - Las Vegas, Nevada, United States (Sunday 20 March 2016)] Sensors and Smart Structures Technologies for Civil, Mechanical, and Aerospace Systems 2016 - Characterization of embedded fiber optic strain sensors into metallic structures via ultrasonic additive manufacturing

Lynch, Jerome P., Schomer, John J., Hehr, Adam J., Dapino, Marcelo J.

Year:

2016

Language:

english

File:

PDF, 2.50 MB

english, 2016

46

Dendroclimatic Relationships of Post Oak across a Precipitation Gradient in the Southcentral United States

David W. Stahle and John G. Hehr

Journal:

Annals of the Association of American Geographers

Year:

1984

File:

PDF, 1.43 MB

1984

47

THE ABSENCE OF DIFFERENTIAL BLOCKADE IN PERIDURAL ANAESTHESIA

WUGMEISTER, M., HEHRE, F. W., BONICA, JOHN J.

Journal:

Survey of Anesthesiology

Year:

1969

File:

PDF, 28 KB

1969

48

Dendroclimatic Relationships of Post Oak across a Precipitation Gradient in the Southcentral United States

David W. Stahle and John G. Hehr

Journal:

Annals of the Association of American Geographers

Year:

1984

Language:

english

File:

PDF, 1.43 MB

english, 1984

49

Malignant Hyperthermia with Disseminated lntravascular Coagulation During General Anesthesia

DANIELS, JOHN C., POLAYES, IRVING M., VILLAR, ROMULO, HEHRE, FREDERICK W.

Journal:

Anesthesia & Analgesia

Year:

1969

Language:

english

File:

PDF, 568 KB

english, 1969

50

EFFECT OF EPINEPHRINE ON ONSET OF ANESTHETIC ACTION OF LIDOCAINE IN THE PERIDURAL SPACE IN MAN

SAYIG, JOHN M., HEHRE, FREDERICK W.

Journal:

Anesthesia & Analgesia

Year:

1959

Language:

english

File:

PDF, 902 KB

english, 1959