George D. Purvis: search on Z-Library

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1

Molecular hyperpolarizabilities. I. Theoretical calculations including correlation

Bartlett, Rodney, Purvis, George

Journal:

Physical Review A

Year:

1979

Language:

english

File:

PDF, 611 KB

english, 1979

2

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

Purvis, George D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1982

Language:

english

File:

PDF, 957 KB

english, 1982

3

On the graphical display of molecular electrostatic force-fields and gradients of the electron density

George D Purvis, Chris Culberson

Journal:

Journal of Molecular Graphics

Year:

1986

Language:

english

File:

PDF, 729 KB

english, 1986

4

Localized orbitals in the coupled cluster singles and doubles model

William D. Laidig, George D. Purvis III, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 612 KB

english, 1982

5

Overlooked ocean strategies to address climate change

Cooley, Sarah R., Bello, Brittany, Bodansky, Daniel, Mansell, Anthony, Merkl, Andreas, Purvis, Nigel, Ruffo, Susan, Taraska, Gwynne, Zivian, Anna, Leonard, George H.

Journal:

Global Environmental Change

Year:

2019

Language:

english

File:

PDF, 428 KB

english, 2019

6

Dual Bone Graft for Congenital Pseudarthrosis of the Tibia

PURVIS, GEORGE D., HOLDER, J. E.

Journal:

Southern Medical Journal

Year:

1960

File:

PDF, 244 KB

1960

7

Dual Bone Graft for Congenital Pseudarthrosis of the Tibia

PURVIS, GEORGE D., HOLDER, J. E.

Journal:

Southern Medical Journal

Year:

1960

File:

PDF, 244 KB

1960

8

A comment on a theory of electron affinities

George D. Purvis, Ynge Öhrn

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 336 KB

english, 1975

9

Model potential for the interacion of molecues with amorphous surfaces

George D. Purvis III, George Wolken Jr.

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 307 KB

english, 1979

10

On the unimolecular reactions of CH3O and CH2OH

George F. Adams, Rodney J. Bartlett, George D. Purvis

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 336 KB

english, 1982

11

Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations

Rodney J. Barlett, Hideo Sekino, George D. Purvis III

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 733 KB

english, 1983

12

SCF and localized orbitals in ethylene: MBPT/CC results and comparison with one-million configuration Cl

William D. Laidig, George D. Purvis III, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 546 KB

english, 1983

13

Singlet-triplet energy gap in methylene using many-body methods

Samuel J. Cole, George D. Purvis III, Rodney J. Bartlett

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 470 KB

english, 1985

14

Calculation of the amplitudes to the electron propagator from a minimal basis CI calculation on N2

Henry Kurtz, George Purvis, Yngve Ǒhrn

Journal:

International Journal of Quantum Chemistry

Year:

1976

Language:

english

File:

PDF, 322 KB

english, 1976

15

Accurate molecular ionization potentials from the electron propagator

George D. Purvis, Yngve Öhrn

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 230 KB

english, 1977

16

Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem

Rodney J. Bartlett, George D. Purvis

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 1018 KB

english, 1978

17

C2V Insertion pathway for BeH2: A test problem for the coupled-cluster single and double excitation model

George D. Purvis III, Ron Shepard, Franklin B. Brown, Rodney J. Bartlett

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 563 KB

english, 1983

18

Electronic structure and vertical excitation spectrum of methylene amidogen CH2N

George F. Adams, David R. Yarkony, Rodney J. Bartlett, George D. Purvis

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 502 KB

english, 1983

19

A quantum mechanical investigation into the fine specificity of the antibodies to soman, BE2, and CC1

Barbara A. Seiders, Alan A. Brimfield, Kenneth Hunter, Michael C. Zerner, George D. Purvis III, W. Daniel Edwards

Journal:

International Journal of Quantum Chemistry

Year:

1986

File:

PDF, 35 KB

1986

20

An optimizing interpreter for multidimensional products in computational chemistry

Samuel J. Cole, George D. Purvis III

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 791 KB

english, 1986

21

An investigation into the specificity of soman analogues toward the antibody BE2 using electrostatic potentials

John C. Culberson, George D. Purvis III, Michael C. Zerner, Barbara A. Seiders

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 342 KB

english, 1986

22

Using density gradients to map atomic structure on molecular isodensities

George D. Purvis III, Chris Culberson

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 256 KB

english, 1986

23

Proton transfer and triol formation in the simulation of GABA solvation

George D. Purvis III, James W. King

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 368 KB

english, 1988

24

On the use of isovalued surfaces to determine molecule shape and reaction pathways

George D. Purvis

Journal:

Journal of Computer-Aided Molecular Design

Year:

1991

Language:

english

File:

PDF, 1.61 MB

english, 1991

25

Rectification of correlation by a sigmoid nonlinearity

Purvis Bedenbaugh, George L. Gerstein

Journal:

Biological Cybernetics

Year:

1994

Language:

english

File:

PDF, 623 KB

english, 1994

26

Size-intensive descriptors

George D. Purvis

Journal:

Journal of Computer-Aided Molecular Design

Year:

2008

Language:

english

File:

PDF, 246 KB

english, 2008

27

Calculation of dissociation energies using many-body perturbation theory

George F Adams, Gary D Bent, George D Purvis, Rodney J Bartlett

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 397 KB

english, 1981

28

Yolk polypeptide gene expression in culturedDrosophilacells

Virginia K. Walker, Martha Schreiber, Caroline Purvis, Janet George, Gerard R. Wyatt, William G. Bendena

Journal:

In Vitro Cellular & Developmental Biology - Animal

Year:

1991

Language:

english

File:

PDF, 946 KB

english, 1991

29

Effectiveness of double bolus alteplase in the treatment of acute myocardial infarction

John A. Purvis, Tom G. Trouton, Michael J.D. Roberts, Pascal McKeown, Michael G. Mulholland, Gavin W.N. Dalzell, Carol M. Wilson, George C. Patterson, Sam W. Webb, Mazhar M. Khan, Norman P.S. Campbell

Journal:

The American Journal of Cardiology

Year:

1991

Language:

english

File:

PDF, 615 KB

english, 1991

30

Suppression of interleukin-2 and interleukin-2 receptor expression in jurkat cells stably expressing the human immunodeficiency virus tat protein

Scott F. Purvis, Daniel L. Georges, Thomas M. Williams, Michael M. Lederman

Journal:

Cellular Immunology

Year:

1992

Language:

english

File:

PDF, 988 KB

english, 1992

31

Role of Cyclic Nucleotides in Fetal Hemoglobin Induction in Cultured CD34+ Cells

Jeffrey R. Keefer, Tonya A. Schneidereith, Abbie Mays, Shirley H. Purvis, George J. Dover, Kirby D. Smith

Journal:

Experimental Hematology

Year:

2006

Language:

english

File:

PDF, 420 KB

english, 2006

32

The influence of the multi-basic cleavage site of the H5 hemagglutinin on the attenuation, immunogenicity and efficacy of a live attenuated influenza A H5N1 cold-adapted vaccine virus

Amorsolo L. Suguitan Jr., Michael P. Marino, Purvi D. Desai, Li-Mei Chen, Yumiko Matsuoka, Ruben O. Donis, Hong Jin, David E. Swayne, George Kemble, Kanta Subbarao

Journal:

Year:

2009

Language:

english

File:

PDF, 644 KB

english, 2009

33

Using artificial neural networks to model the suitability of coastline for breeding by New Zealand fur seals (Arctocephalus forsteri)

Corey J.A Bradshaw, Lloyd S Davis, Martin Purvis, Qingqing Zhou, George L Benwell

Journal:

Ecological Modelling

Year:

2002

Language:

english

File:

PDF, 265 KB

english, 2002

34

ELECTRON CORRELATION IN LARGE MOLECULES WITH MANY-BODY METHODS

Rodney J. Bartlett, George D. Purvis III

Journal:

Annals of the New York Academy of Sciences

Year:

1981

Language:

english

File:

PDF, 1.11 MB

english, 1981

35

A dose ranging study of double bolus recombinant tissue plasminogen activator in acute myocardial infarction

John A. Purvis, Tom G. Trouton, Gavin W.N. Dalzell, Michael J.D. Roberts, Michael G. Mulholland, Sanjeev Jalihal, Carol M. Wilson, George C. Patterson, Samuel W. Webb, Norman P.S. Campbell, Mazhar M.

Journal:

Journal of the American College of Cardiology

Year:

1991

Language:

english

File:

PDF, 201 KB

english, 1991

36

Bioavailability of iron in cereals

Guy H. Johnson, George A. Purvis

Journal:

The Journal of Pediatrics

Year:

1987

Language:

english

File:

PDF, 101 KB

english, 1987

37

The quartic force field of H2O determined by many-body methods that include quadruple excitation effects

Bartlett, Rodney J., Shavitt, Isaiah, Purvis, George D.

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 1.21 MB

english, 1979

38

The unimolecular isomerization of methyl isocyanide to methyl cyanide (acetonitrile)

Redmon, Lynn T., Purvis, George D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 765 KB

english, 1978

39

Accurate binding energies of diborane, borane carbonyl, and borazane determined by many-body perturbation theory

Redmon, Lynn T., Purvis, George D., Bartlett, Rodney J.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 831 KB

english, 1979

40

Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods

Bartlett, Rodney J, Purvis, George D

Journal:

Physica Scripta

Year:

1980

Language:

english

File:

PDF, 1.37 MB

english, 1980

41

Low-lying electronic states of unsaturated carbenes. Comparison with methylene

Kenney, John W., Simons, Jack, Purvis, George D., Bartlett, Rodney J.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 986 KB

english, 1978

42

The quartic force field of H2O determined by many-body methods. II. Effects of triple excitations

Bartlett, Rodney J., Cole, Samuel J., Purvis, George D., Ermler, Walter C., Hsieh, Hsiuchin C., Shavitt, Isaiah

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.23 MB

english, 1987

43

Conservation of Synteny between the Genome of the Pufferfish (Fugu rubripes) and the Region on Human Chromosome 14 (14q24.3) Associated with Familial Alzheimer Disease (AD3 Locus)

Michael K. Trower, Suzanne M. Orton, Ian J. Purvis, Philippe Sanseau, John Riley, Chris Christodoulou, Doreen Burt, Chee Gee See, Greg Elgar, Robin Sherrington, Evgeny I. Rogaev, Peter St. George-Hysl

Journal:

Proceedings of the National Academy of Sciences

Year:

1996

Language:

english

File:

PDF, 260 KB

english, 1996

44

Can simple localized bond orbitals and coupled cluster methods predict reliable molecular energies?

Laidig, William D., Purvis, George D., Bartlett, Rodney J.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.41 MB

english, 1985

45

The reduced linear equation method in coupled cluster theory.

Purvis, George D.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 804 KB

english, 1981

46

The chemical sample: A fundamental object for molecular modeling

Purvis, George D.

Journal:

Journal of Chemical Information and Modeling

Year:

1994

Language:

english

File:

PDF, 1.16 MB

english, 1994

47

O

Purvis, George D., Bartlett, Rodney J.

Journal:

Physical Review A

Year:

1981

Language:

english

File:

PDF, 440 KB

english, 1981

48

Multiplicity of many-body wavefunctions using unrestricted Hartree-Fock reference functions

Purvis, George D., Sekino, Hideo, Bartlett, Rodney J.

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1988

Language:

english

File:

PDF, 592 KB

english, 1988

49

Electron propagator calculations of the photoelectron spectrum for open shell molecules with applications to the oxygen molecule

Purvis, George D.

Journal:

The Journal of Chemical Physics

Year:

1975

Language:

english

File:

PDF, 543 KB

english, 1975

50

The potential energy curve for the X1Σg+ state of Mg2 calculated with many-body perturbation theory

Purvis, George D., Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 1.02 MB

english, 1978