Deborah L. Crittenden : rechercher sur Z-Library

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1

CH 5+ : Chemistry's Chameleon Unmasked

Thompson, Keiran C., Crittenden, Deborah L., Jordan, Meredith J. T.

Journal:

Journal of the American Chemical Society

Année:

2005

Langue:

english

Fichier:

PDF, 185 KB

english, 2005

2

Ab-initio calculation of total x-ray scattering from molecules

Moreno Carrascosa, Andrés, Yong, Haiwang, Crittenden, Deborah L., Weber, Peter M., Kirrander, Adam

Journal:

Journal of Chemical Theory and Computation

Année:

2019

Langue:

english

Fichier:

PDF, 20.00 MB

english, 2019

3

A Systematic CCSD(T) Study of Long-Range and Noncovalent Interactions between Benzene and a Series of First- and Second-Row Hydrides and Rare Gas Atoms

Crittenden, Deborah L.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 100 KB

english, 2009

4

Efficiency considerations in the construction of interpolated potential energy surfaces for the calculation of quantum observables by diffusion Monte Carlo

Crittenden, Deborah L., Thompson, Keiran C., Chebib, Mary, Jordan, Meredith J. T.

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 549 KB

english, 2004

5

Enantiomers of cis-constrained and flexible 2-substituted GABA analogues exert opposite effects at recombinant GABAC receptors

Deborah L. Crittenden, Anna Park, Jian Qiu, Richard B. Silverman, Rujee K. Duke, Graham A.R. Johnston, Meredith J.T. Jordan, Mary Chebib

Journal:

Bioorganic & Medicinal Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 429 KB

english, 2006

6

A quantitative structure–activity relationship investigation into agonist binding at GABAC receptors

Deborah L. Crittenden, Mary Chebib, Meredith J.T. Jordan

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 221 KB

english, 2005

7

Reviews of books

GVictoria L. Crittenden, Kenneth E. Clow, Deborah Utter, John Hogan, Philip A. Dover, Tim Christiansen, Garold Lantz, Kathleen Seiders, Penny M. Simpson, William F. Crittenden, Larry C. Giunipero, Joe

Journal:

Journal of the Academy of Marketing Science

Année:

2000

Langue:

english

Fichier:

PDF, 1.74 MB

english, 2000

8

Reviews of books

Victoria L. Crittenden, Simon J. Bell, Cornelia Dröge, Steven A. Frankforter, Deborah L. Cowles, Kenneth Day

Journal:

Journal of the Academy of Marketing Science

Année:

1998

Langue:

english

Fichier:

PDF, 660 KB

english, 1998

9

Reviews of books, software, and videos

Victoria L. Crittenden, Garland Keesling, M. Joseph Sirgy, Samuel B. Graves, Deborah Utter, Luiz Moutinho, John Hadjimarcou, Michael S. Minor, James Reardon, Chip E. Miller

Journal:

Journal of the Academy of Marketing Science

Année:

1998

Langue:

english

Fichier:

PDF, 1.24 MB

english, 1998

10

Reviews of books and software

Victoria L. Crittenden, Sandra A. Waddock, Peggy Cunningham, Thomas F. Stafford, Deborah Utter

Journal:

Journal of the Academy of Marketing Science

Année:

1999

Langue:

english

Fichier:

PDF, 720 KB

english, 1999

11

A Hierarchy of Static Correlation Models

Crittenden, Deborah L.

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2013

12

On the Extent of Intramolecular Hydrogen Bonding in Gas-Phase and Hydrated 1,2-Ethanediol

Crittenden, Deborah L., Thompson, Keiran C., Jordan, Meredith J. T.

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 200 KB

english, 2005

13

An ab Initio Study of Anharmonicity and Field Effects in Hydrogen-Bonded Complexes of the Deuterated Analogues of HCl and HBr with NH 3 and N(CH 3 ) 3

Bevitt, Joseph, Chapman, Karena, Crittenden, Deborah, Jordan, Meredith J. T., Del Bene, Janet E.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 64 KB

english, 2001

14

Stabilization of Zwitterions in Solution: GABA Analogues

Crittenden, Deborah L., Chebib, Mary, Jordan, Meredith J. T.

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 470 KB

english, 2005

15

Stabilization of Zwitterions in Solution: Phosphinic and Phosphonic Acid GABA Analogues

Crittenden, Deborah L., Kumar, Rohan J., Hanrahan, Jane R., Chebib, Mary, Jordan, Meredith J. T.

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 645 KB

english, 2005

16

Optimal Composition of Atomic Orbital Basis Sets for Recovering Static Correlation Energies

Wallace, Andrew J., Crittenden, Deborah L.

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 789 KB

english, 2014

17

Relating Environmental Effects and Structures, IR, and NMR Properties of Hydrogen-Bonded Complexes: ClH:Pyridine

Chapman, Karena, Crittenden, Deborah, Bevitt, Joseph, Jordan, Meredith J. T., Del Bene, Janet E.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 113 KB

english, 2001

18

Stabilization of Zwitterions in Solution: γ-Aminobutyric Acid (GABA)

Crittenden, Deborah L., Chebib, Mary, Jordan, Meredith J. T.

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 145 KB

english, 2004

19

Distribution of r · p in Atomic Systems

Bernard, Yves A., Crittenden, Deborah L., Gill, Peter M. W.

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 752 KB

english, 2010

20

Intracule functional models : Part III. The dot intracule and its Fourier transform

Bernard, Yves A., Crittenden, Deborah L., Gill, Peter M. W.

Journal:

Physical Chemistry Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 659 KB

english, 2008

21

Compact expressions for spherically averaged position and momentum densities

Crittenden, Deborah L., Bernard, Yves A.

Journal:

The Journal of Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 681 KB

english, 2009

22

Gardening activity, food supply and nutritional status in the southern highlands of Papua New Guinea

Crittenden, Robert, Floyd, Christopher N., Lefroy, Roderick D. B., Anders, Merle A., D'Souza, Euclid J., Lehman, Deborah

Journal:

Ecology of Food and Nutrition

Année:

1988

Langue:

english

Fichier:

PDF, 1.31 MB

english, 1988

23

The role of chemical‐induced stress responses in immunosuppression: A review of quantitative associations and cause‐effect relationships between chemical‐induced stress responses and immunosuppression

Pruett, Stephen B., Ensley, Deborah K., Crittenden, Patrick L.

Journal:

Journal of Toxicology and Environmental Health

Année:

1993

Langue:

english

Fichier:

PDF, 1.79 MB

english, 1993

24

Intracule functional models. IV. Basis set effects

Pearson, Jason K., Crittenden, Deborah L., Gill, Peter M. W.

Journal:

The Journal of Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 527 KB

english, 2009

25

A classical trajectory study of the photodissociation of T[sub 1] acetaldehyde: The transition from impulsive to statistical dynamics

Thompson, Keiran C., Crittenden, Deborah L., Kable, Scott H., Jordan, Meredith J. T.

Journal:

The Journal of Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 273 KB

english, 2006

26

Computation and interpretation of molecular Omega intracules

Crittenden, Deborah L., Gill, Peter M. W.

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 310 KB

english, 2007

27

Intracule functional models. II. Analytically integrable kernels

Crittenden, Deborah L., Dumont, Elise E., Gill, Peter M. W.

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 185 KB

english, 2007

28

Cyclopropenium cations break the rules of attraction to form closely-bound dimers

Wallace, Andrew J., Jayasinghe, Chaminda D., Polson, Matthew I. J., Curnow, Owen J., Crittenden, Deborah L.

Journal:

Journal of the American Chemical Society

Année:

2015

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2015

29

Quadratic Corrections to Harmonic Vibrational Frequencies Outperform Linear Models

Sibaev, Marat, Crittenden, Deborah L.

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 872 KB

english, 2015

30

Multifunctional and stable monolayers on carbon: a simple and reliable method for back-filling sparse layers grafted from protected aryldiazonium ions

Lee, Lita, Gunby, Nathaniel Richard, Crittenden, Deborah L., Downard, Alison J.

Journal:

Année:

2016

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2016

31

Intracule functional models: I. Angle-corrected correlation kernels

Dumont, Elise E., Crittenden, Deborah L., Gill, Peter M. W.

Journal:

Physical Chemistry Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 523 KB

english, 2007

32

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra

Sibaev, Marat, Crittenden, Deborah L.

Journal:

Computer Physics Communications

Année:

2016

Langue:

english

Fichier:

PDF, 405 KB

english, 2016

33

The PyPES library of high quality semi-global potential energy surfaces

Sibaev, Marat, Crittenden, Deborah L.

Journal:

Journal of Computational Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 362 KB

english, 2015

34

CASSCF-based explicit ligand field models clarify the ground state electronic structures of transition metal phthalocyanines (MPc; M = Mn, Fe, Co, Ni, Cu, Zn)

Wallace, Andrew J., Williamson, Bryce E., Crittenden, Deborah L.

Journal:

Canadian Journal of Chemistry

Année:

2016

Fichier:

PDF, 634 KB

2016

35

Coupled cluster calculations provide a one-to-one mapping between calculated and observed transition energies in the electronic absorption spectrum of zinc phthalocyanine

Wallace, Andrew J., Williamson, Bryce E., Crittenden, Deborah L.

Journal:

International Journal of Quantum Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 746 KB

english, 2017

36

Path integral Monte Carlo simulations of H 2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

Lindoy, Lachlan P., Kolmann, Stephen J., D’Arcy, Jordan H., Crittenden, Deborah L., Jordan, Meredith J. T.

Journal:

The Journal of Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 856 KB

english, 2015

37

The effect of irradiance and temperature on the role of photolysis in the removal of organic micropollutants under Antarctic conditions

Emnet, Philipp, Kookana, Rai S., Shareef, Ali, Gaw, Sally, Williams, Mike, Crittenden, Deborah, Northcott, Grant L.

Journal:

Environmental Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 283 KB

english, 2013

38

Balancing accuracy and efficiency in selecting vibrational configuration interaction basis states using vibrational perturbation theory

Sibaev, Marat, Crittenden, Deborah L.

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 938 KB

english, 2016

39

Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program

Gunby, Nathaniel R., Masters, Sarah L., Crittenden, Deborah L.

Journal:

Journal of Molecular Graphics and Modelling

Année:

2017

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2017

40

Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

Krasnoshchekov, Sergey V., Schutski, Roman S., Craig, Norman C., Sibaev, Marat, Crittenden, Deborah L.

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 622 KB

english, 2018

41

Beyond the Woodward-Hoffman Rules: What Controls Reactivity in Eliminative Aromatic Ring-Forming Reactions?

Wonanke, A. D. Dinga, Crittenden, Deborah L.

Journal:

Australian Journal of Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2018

42

A Discrete Dichloride Tetrahydrate Trapped by a Cyclopropenium Cation: Its Structure and Spectroscopic Properties

Curnow, Owen John, Crittenden, Deborah L, Abdelbassit, Mohammed, Ferreras, Manuel

Journal:

Année:

2020

Fichier:

PDF, 1.61 MB

2020

43

Temperature-Dependent Blue Shifting of OâH Stretching Frequencies in Crystalline Cellulose Explained

Ferreras Moreno, Manuel, Stinson, Chris J., Shepherd, Ross G., Welsh, Ivan D., Altaner, Clemens, Crittenden, Deborah L.

Journal:

Journal of Physical Chemistry B

Année:

2020

Fichier:

PDF, 1.35 MB

2020

44

On the separability of large-amplitude motions in anharmonic frequency calculations

Nejad, Arman, Crittenden, Deborah L.

Journal:

Physical Chemistry Chemical Physics

Année:

2020

Fichier:

PDF, 2.48 MB

2020

45

A Series of Discrete Dichloride Dihydrates. Characterisation and Symmetry Effects

Curnow, Owen John, Senthooran, Rathiga, Crittenden, Deborah, Ferreras, Manuel, Brenner, Thomas, Weiss, Robert

Journal:

Année:

2020

Fichier:

PDF, 2.13 MB

2020

46

Experimental Validation of a Computational Screening Approach to Predict Redox Potentials for a Diverse Variety of Redox-Active Organic Molecules

McNeill, Alexandra R., Bodman, Samantha E., Burney, Amy M., Hughes, Chris D., Crittenden, Deborah L.

Journal:

The Journal of Physical Chemistry C

Année:

2020

Fichier:

PDF, 1.71 MB

2020