NOEL S. HUSH: search on Z-Library

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1

Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born–Oppenheimer breakdown corrections

Reimers, Jeffrey R., McKemmish, Laura K., McKenzie, Ross H., Hush, Noel S.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.89 MB

english, 2015

2

Competition of van der Waals and chemical forces on gold–sulfur surfaces and nanoparticles

Reimers, Jeffrey R., Ford, Michael J., Marcuccio, Sebastian M., Ulstrup, Jens, Hush, Noel S.

Journal:

Nature Reviews Chemistry

Year:

2017

Language:

english

File:

PDF, 1.47 MB

english, 2017

3

Comparison of Soliton Geometry and Charge-Density Wave Structure, and Band Gaps, Between Odd Polyene and Symmetrical Polymethine Cyanine (Brooker) Ions and T - Polyacetylene : Scf and Model Hamiltonian Approaches with Implications For Molecular Wires and Switches

Reimers, Jeffrey R., Craw, J. Simon, Wong, Adrian, Bacska, George B., Hush, Noel S.

Journal:

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals

Year:

1993

Language:

english

File:

PDF, 377 KB

english, 1993

4

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity

Reimers, Jeffrey R., McKemmish, Laura K., McKenzie, Ross H., Hush, Noel S.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 10.06 MB

english, 2015

5

Optimization and Chemical Control of Porphyrin-Based Molecular Wires and Switches

NOEL S. HUSH, JEFFREY R. REIMERS, LACHLAN E. HALL, LESLEY A. JOHNSTON, MAXWELL J. CROSSLEY

Journal:

Annals of the New York Academy of Sciences

Year:

1998

Language:

english

File:

PDF, 4.25 MB

english, 1998

6

Electron–vibration entanglement in the Born–Oppenheimer description of chemical reactions and spectroscopy

McKemmish, Laura K., McKenzie, Ross H., Hush, Noel S., Reimers, Jeffrey R.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 5.34 MB

english, 2015

7

Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasible

McKemmish, Laura K., Reimers, Jeffrey R., McKenzie, Ross H., Mark, Alan E., Hush, Noel S.

Journal:

Physical Review E

Year:

2009

Language:

english

File:

PDF, 297 KB

english, 2009

8

Modeling the Bacterial Photosynthetic Reaction Center. 1. Magnesium Parameters for the Semiempirical AM1 Method Developed Using a Genetic Algorithm

Hutter, Michael C., Reimers, Jeffrey R., Hush, Noel S.

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 83 KB

english, 1998

9

The revised Penrose–Hameroff orchestrated objective-reduction proposal for human consciousness is not scientifically justified

Reimers, Jeffrey R., McKemmish, Laura K., McKenzie, Ross H., Mark, Alan E., Hush, Noel S.

Journal:

Physics of Life Reviews

Year:

2014

Language:

english

File:

PDF, 147 KB

english, 2014

10

Diffraction analysis of the photoionisation cross sections of water, ammonia and methane

David A.L. Kilcoyne, Sture Nordholm, Noel S. Hush

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1001 KB

english, 1986

11

An Overview of the First Half-Century of Molecular Electronics

Journal:

Annals of the New York Academy of Sciences

Year:

2003

Language:

english

File:

PDF, 1.17 MB

english, 2003

12

Quantum entanglement between electronic and vibrational degrees of freedom in molecules

McKemmish, Laura K., McKenzie, Ross H., Hush, Noel S., Reimers, Jeffrey R.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

13

Molecular electronics: Cool computing

Journal:

Nature Materials

Year:

2003

Language:

english

File:

PDF, 302 KB

english, 2003

14

Density-functional geometry optimization of the 150 000-atom photosystem-I trimer

Canfield, Peter, Dahlbom, Mats G., Hush, Noel S., Reimers, Jeffrey R.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 992 KB

english, 2006

15

Electronic spectra of tris(.mu.-halo)bis(triammineruthenium)(2+) ions: evidence for delocalized mixed-valence D3h ruthenium(II, III) ground states

Hush, Noel S., Beattie, James K., Ellis, Vivienne M.

Journal:

Inorganic Chemistry

Year:

1984

Language:

english

File:

PDF, 493 KB

english, 1984

16

Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite

Chin, Yiing, Panduwinata, Dwi, Sintic, Maxine, Sum, Tze Jing, Hush, Noel S., Crossley, Maxwell J., Reimers, Jeffrey R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 3.78 MB

english, 2011

17

Modelling the bacterial photosynthetic reaction center. V. Assignment of the electronic transition observed at 2200 cm−1 in the special-pair radical-cation as a second-highest occupied molecular orbital to highest occupied molecular orbital transition

Reimers, Jeffrey R., Shapley, Warwick A., Hush, Noel S.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 345 KB

english, 2003

18

Modeling the bacterial photosynthetic reaction center. VII. Full simulation of the intervalence hole–transfer absorption spectrum of the special-pair radical cation

Reimers, Jeffrey R., Hush, Noel S.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 413 KB

english, 2003

19

Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li 2+

Yang, Likun, Reimers, Jeffrey R., Kobayashi, Rika, Hush, Noel S.

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.59 MB

2019

20

Coexistence of Multiple Conformations in Cysteamine Monolayers on Au(111)

Zhang, Jingdong, Bilic̄, Ante, Reimers, Jeffrey R., Hush, Noel S., Ulstrup, Jens

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 1.99 MB

english, 2005

21

Crystal structure of �-pyrazine-bis(penta-ammineruthenium) penta-(bromide chloride)?water (1/4)

Beattie, James K., Hush, Noel S., Taylor, Peter R., Raston, Colin L., White, Allan H.

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1977

Language:

english

File:

PDF, 553 KB

english, 1977

22

An ab initio SCF calculation of the dipole-moment derivatives and infrared-absorption intensities of the water-dimer molecule

David J. Swanton, George B. Bacskay, Noel S. Hush

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 1.08 MB

english, 1983

23

Protonation-Induced Paramagnetism. Structures and Stabilities of Six- and Seven-Coordinate Complexes of Os(II) in Singlet and Triplet States: A Density Functional Study

Mylvaganam, Kausala, Bacskay, George B., Hush, Noel S.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 445 KB

english, 2001

24

The symmetry of single-molecule conduction

Solomon, Gemma C., Gagliardi, Alessio, Pecchia, Alessandro, Frauenheim, Thomas, Di Carlo, Aldo, Reimers, Jeffrey R., Hush, Noel S.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 174 KB

english, 2006

25

ChemInform Abstract: ELECTRONIC SPECTRA OF METAL CORROLE ANIONS

HUSH, NOEL S., DYKE, JOHN M., WILLIAMS, MARTIN L., WOOLSEY, IAN S.

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 95 KB

1974

26

Chemical Control of Tautomerization-Based Molecular Electronic and Color Switches

JEFFREY R. REIMERS, LACHLAN E. HALL, NOEL S. HUSH, KIA SILVERBROOK

Journal:

Annals of the New York Academy of Sciences

Year:

1998

Language:

english

File:

PDF, 3.12 MB

english, 1998

27

Hyperfine structure in the electron spin resonance spectra of reduced porphins

Hush, Noel S., Rowlands, John R.

Journal:

Journal of the American Chemical Society

Year:

1967

Language:

english

File:

PDF, 445 KB

english, 1967

28

Optical and electron spin resonance spectra of cobalt complexes related to vitamin B12

Hush, Noel S., Woolsey, Ian S.

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1974

Language:

english

File:

PDF, 1.49 MB

english, 1974

29

Pressure-induced spectral changes for the special-pair radical cation of the bacterial photosynthetic reaction center

Leiger, Kristjan, Freiberg, Arvi, Dahlbom, Mats G., Hush, Noel S., Reimers, Jeffrey R.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.42 MB

english, 2007

30

Bond angle variations in XH 3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model

Reimers, Jeffrey R., McKemmish, Laura K., McKenzie, Ross H., Hush, Noel S.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.08 MB

english, 2015

31

Hamiltonian operators including both symmetric and antisymmetric vibrational modes for vibronic coupling and intervalence charge-transfer applications

Jeffrey R. Reimers, Noel S. Hush

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 156 KB

english, 2004

32

An Atomistic Approach to Conduction Between Nanoelectrodes Through a Single Molecule

JEFFREY R. REIMERS, WARWICK A. SHAPLEY, NICHOLAS LAMBROPOULOS, NOEL S. HUSH

Journal:

Annals of the New York Academy of Sciences

Year:

2002

Language:

english

File:

PDF, 14.38 MB

english, 2002

33

The infrared absorption intensities of the water molecule: A quantum chemical study

Swanton, David J., Bacskay, George B., Hush, Noel S.

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.29 MB

english, 1986

34

Vibrational Stark Spectroscopy 3. Accurate Benchmark ab Initio and Density Functional Calculations for CO and CN -

Reimers, Jeffrey R., Hush, Noel S.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 141 KB

english, 1999

35

Diabatic models with transferrable parameters for generalized chemical reactions

Reimers, Jeffrey R, McKemmish, Laura K, McKenzie, Ross H, Hush, Noel S

Journal:

Journal of Physics Conference Series

Year:

2017

Language:

english

File:

PDF, 1.07 MB

english, 2017

36

David Parker Craig 1919–2015

Hush, Noel S., Radom, Leo

Journal:

Historical Records of Australian Science

Year:

2017

Language:

english

File:

PDF, 6.15 MB

english, 2017

37

A quantum chemical study of the infrared absorption intensities of the isolectronic C3v systems NH3, H3O+ and CH−3

David J. Swanton, George B. Bacskay, Noel S. Hush

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.28 MB

english, 1986

38

Flanged nanotube–electrode junctions

Lambropoulos, Nicholas A, Reimers, Jeffrey R, Hush, Noel S

Journal:

Year:

2004

Language:

english

File:

PDF, 489 KB

english, 2004

39

NMR resonance splitting of urea in stretched hydrogels: Proton exchange and 1H/2H isotopologues

Kuchel, Philip W., Naumann, Christoph, Chapman, Bogdan E., Shishmarev, Dmitry, Håkansson, Pär, Bacskay, George, Hush, Noel S.

Journal:

Journal of Magnetic Resonance

Year:

2014

Language:

english

File:

PDF, 843 KB

english, 2014

40

Controlling the Stereochemistry and Regularity of Butanethiol Self-Assembled Monolayers on Au(111)

Yan, Jiawei, Ouyang, Runhai, Jensen, Palle S., Ascic, Erhad, Tanner, David, Mao, Bingwei, Zhang, Jingdong, Tang, Chunguang, Hush, Noel S., Ulstrup, Jens, Reimers, Jeffrey R.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 4.47 MB

english, 2014

41

Erratum: Competition of van der Waals and chemical forces on gold–sulfur surfaces and nanoparticles

Reimers, Jeffrey R., Ford, Michael J., Marcuccio, Sebastian M., Ulstrup, Jens, Hush, Noel S.

Journal:

Nature Reviews Chemistry

Year:

2017

File:

PDF, 59 KB

2017

42

Nature of the special-pair radical cation in bacterial photosynthesis

Jeffrey R. Reimers, Michael C. Hutter, Jason M. Hughes, Noel S. Hush

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 343 KB

english, 2000

43

A quantum chemical study of the infrared absorption intensities of the isoelectronic C2v systems H2F+, H2O and NH−2

David J. Swanton, George B. Bacskay, Noel S. Hush

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 594 KB

english, 1986

44

Molecular Electronics: From Basic Chemical Principles to Photosynthesis to Steady-State Through-Molecule Conductivity to Computer Architectures

Hush, Noel S., Reimers, Jeffrey R., Bilić, Ante, Cai, Zheng-Li, Dahlbom, Mats, Lambropoulos, Nicholas A., Solomon, Gemma C., Crossley, Maxwell J.

Journal:

Australian Journal of Chemistry

Year:

2004

Language:

english

File:

PDF, 929 KB

english, 2004

45

The Green's Function Density Functional Tight-Binding (gDFTB) Method for Molecular Electronic Conduction †

Reimers, Jeffrey R., Solomon, Gemma C., Gagliardi, Alessio, Bilić, Ante, Hush, Noel S., Frauenheim, Thomas, Di Carlo, Aldo, Pecchia, Alessandro

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 238 KB

english, 2007

46

Chain-Branching Control of the Atomic Structure of Alkanethiol-Based Gold–Sulfur Interfaces

Wang, Yun, Chi, Qijin, Zhang, Jingdong, Hush, Noel S., Reimers, Jeffrey R., Ulstrup, Jens

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 2.02 MB

english, 2011

47

Reflectance spectrum and electronic states of the CuCl53- ion in a number of crystal lattices

Allen, Geoffrey Charles, Hush, Noel S.

Journal:

Inorganic Chemistry

Year:

1967

Language:

english

File:

PDF, 559 KB

english, 1967

48

Electron and energy transfer through bridged systems. 6. Molecular switches: the critical field in electric field activated bistable molecules

Hush, Noel S., Wong, Adrian T., Bacskay, George B., Reimers, Jeffrey R.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 794 KB

english, 1990

49

H−D Spin−Spin Coupling in Stretched Molecular Hydrogen Complexes of Osmium(II): Density Functional Studies of J HD

Bacskay, George B., Bytheway, Ian, Hush, Noel S.

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 228 KB

english, 1996

50

Single molecule conductivity: The role of junction-orbital degeneracy in the artificially high currents predicted by ab initio approaches

Solomon, Gemma C., Reimers, Jeffrey R., Hush, Noel S.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 424 KB

english, 2004

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