PaT. Lane: search on Z-Library

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1

Expansion of the σ-hole concept

Jane S. Murray, Pat Lane, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2009

Language:

english

File:

PDF, 224 KB

english, 2009

2

Statistically-based interaction indices derived from molecular surface electrostatic potentials: a general interaction properties function (GIPF)

Jane S. Murray, Tore Brinck, Pat Lane, Kirn Paulsen, Peter Politzer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 797 KB

english, 1994

3

An overview of halogen bonding

Peter Politzer, Pat Lane, Monica C. Concha, Yuguang Ma, Jane S. Murray

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 685 KB

english, 2007

4

σ-hole bonding: molecules containing group VI atoms

Jane S. Murray, Pat Lane, Timothy Clark, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

5

Acute surgical wound‐dressing procedure: Description of the steps involved in the development and validation of an observational metric

Hegarty, Josephine, Howson, Victoria, Wills, Teresa, Creedon, Sile A., Mc Cluskey, Pat, Lane, Aoife, Connolly, Aine, Walshe, Nuala, Noonan, Brendan, Guidera, Fiona, Gallagher, Anthony G, Murphy, Siobh

Journal:

International Wound Journal

Year:

2019

Language:

english

File:

PDF, 1.03 MB

english, 2019

6

Pilot study of a visitor volunteer programme for community elderly people receiving home health care

Irene MacIntyre, Pat Corradetti, Jacqueline Roberts, Gina Browne, Susan Watt, Adele Lane

Journal:

Health & Social Care in the Community

Year:

1999

Language:

english

File:

PDF, 122 KB

english, 1999

7

Computational prediction of standard gas, liquid, and solid-phase heats of formation and heats of vaporization and sublimation

Peter Politzer, Yuguang Ma, Pat Lane, Monica C. Concha

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 97 KB

english, 2005

8

A predicted new type of directional noncovalent interaction

Jane S. Murray, Pat Lane, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 148 KB

english, 2007

9

σ-Hole bonding and hydrogen bonding: Competitive interactions

Peter Politzer, Jane S. Murray, Pat Lane

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 128 KB

english, 2007

10

Blue shiftsvsred shifts in σ-hole bonding

Jane S. Murray, Monica C. Concha, Pat Lane, Pavel Hobza, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 177 KB

english, 2008

11

σ-Holes, π-holes and electrostatically-driven interactions

Jane S. Murray, Pat Lane, Timothy Clark, Kevin E. Riley, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 369 KB

english, 2012

12

Comparison of density functional calculations of CNO2, NNO2 and CNF2 dissociation energies

Peter Politzer, Pat Lane

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 271 KB

english, 1996

13

Energetics of Aluminum Combustion

Politzer, Peter, Lane, Pat, Grice, M. Edward

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 85 KB

english, 2001

14

Some interesting aspects of N-oxides

Politzer, Peter, Lane, Pat, Murray, Jane S.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 567 KB

english, 2014

15

As heterostructures

Lane, Pat, Greene, Ronald L.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 351 KB

english, 1986

16

Revisiting the seemingly straightforward hydrogen cyanide/hydrogen isocyanide isomerisation

Gutiérrez-Oliva, Soledad, Díaz, Silvia, Toro-Labbé, Alejandro, Lane, Pat, Murray, Jane S., Politzer, Peter

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 378 KB

english, 2014

17

As heterostructures

Greene, Ronald L., Lane, Pat

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 366 KB

english, 1986

18

Fabrication and Characterization of Bi2Te3-Based Chip-Scale Thermoelectric Energy Harvesting Devices

Cornett, Jane, Chen, Baoxing, Haidar, Samer, Berney, Helen, McGuinness, Pat, Lane, Bill, Gao, Yuan, He, Yifan, Sun, Nian, Dunham, Marc, Asheghi, Mehdi, Goodson, Ken, Yuan, Yi, Najafi, Khalil

Journal:

Journal of Electronic Materials

Year:

2017

Language:

english

File:

PDF, 1.11 MB

english, 2017

19

Electrostatic potentials and covalent radii

Peter Politzer, Jane S. Murray, Pat Lane

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 85 KB

english, 2003

20

A relationship between impact sensitivity and the electrostatic potentials at the midpoints of CNO2 bonds in nitroaromatics

Jane S. Murray, Pat Lane, Peter Politzer, Paul R. Bolduc

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 369 KB

english, 1990

21

Shock-sensitivity relationships for nitramines and nitroaliphatics

Peter Politzer, Jane S. Murray, Pat Lane, Per Sjoberg, Horst G. Adolph

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 324 KB

english, 1991

22

Effects of different caps on model nanotube surface properties

Peter Politzer, Pat Lane, Monica C. Concha, Jane S. Murray

Journal:

Microelectronic Engineering

Year:

2005

Language:

english

File:

PDF, 406 KB

english, 2005

23

The Wisdom Project: virtual education in primary care

AlaN. O’Rourke, Elaine Dolman, NicK. Fox, PaT. Lane, Chris Roberts

Journal:

Health Information & Libraries Journal

Year:

1999

Language:

english

File:

PDF, 101 KB

english, 1999

24

Pathways to work for low-income workers: The effect of work in the temporary help industry

Julia Lane, Kelly S. Mikelson, Pat Sharkey, Doug Wissoker

Journal:

Journal of Policy Analysis and Management

Year:

2003

Language:

english

File:

PDF, 118 KB

english, 2003

25

Atomic and molecular energies in terms of electrostatic potentials at nuclei

Peter Politzer, Pat Lane, Monica C. Concha

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 98 KB

english, 2002

26

A noteworthy feature of bond dissociation/formation reactions

Peter Politzer, Jane S. Murray, Pat Lane, Alejandro Toro-Labbé

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 154 KB

english, 2007

27

Simultaneous σ-hole and hydrogen bonding by sulfur- and selenium-containing heterocycles

Jane S. Murray, Pat Lane, Peter Politzer

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 226 KB

english, 2008

28

Computational determination of effects of electric fields upon “trigger linkages” of prototypical energetic molecules

Peter Politzer, Jane S. Murray, Pat Lane

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 125 KB

english, 2009

29

Electrostatically driven complexes of SiF4 with amines

Peter Politzer, Jane S. Murray, Pat Lane, Monica C. Concha

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 240 KB

english, 2009

30

A computational study of some nitrofluoromethanes

Peter Politzer, Pat Lane

Journal:

Structural Chemistry

Year:

1990

Language:

english

File:

PDF, 487 KB

english, 1990

31

Structures and molecular surface electrostatic potentials of high-density C, N, H systems

Jane S. Murray, Richard Gilardi, M. Edward Grice, Pat Lane, Peter Politzer

Journal:

Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 632 KB

english, 1996

32

Calculated structures and heats of formation of some predicted C, N, O, F molecules

Peter Politzer, Pat Lane, Per Sjoberg, M. Edward Grice, Harold Shechter

Journal:

Structural Chemistry

Year:

1995

Language:

english

File:

PDF, 361 KB

english, 1995

33

Reaction force analyses of nitro-acitautomerizations of trinitromethane, the elusive trinitromethanol, picric acid and 2,4-dinitro-1H-imidazole

Jane S. Murray, Pat Lane, Michael Göbel, Thomas M. Klapötke, Peter Politzer

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2009

Language:

english

File:

PDF, 486 KB

english, 2009

34

Enhanced detonation sensitivities of silicon analogs of PETN: reaction force analysis and the role of σ–hole interactions

Jane S. Murray, Pat Lane, Anian Nieder, Thomas M. Klapötke, Peter Politzer

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 613 KB

english, 2010

35

Comparative analysis of surface electrostatic potentials of carbon, boron/nitrogen and carbon/boron/nitrogen model nanotubes

Peter Politzer, Pat Lane, Jane S. Murray, Monica C. Concha

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 523 KB

english, 2005

36

An unusual feature of end-substituted model carbon (6,0) nanotubes

Peter Politzer, Jane S. Murray, Pat Lane, Monica C. Concha, Ping Jin, Zenaida Peralta-Inga

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 77 KB

english, 2006

37

An unusual feature of end-substituted model carbon (6,0) nanotubes

Peter Politzer, Jane S. Murray, Pat Lane, Monica C. Concha, Ping Jin, Zenaida Peralta-Inga

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 854 KB

english, 2005

38

Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?

Timothy Clark, Jane S. Murray, Pat Lane, Peter Politzer

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 386 KB

english, 2008

39

Unusual Odd-Electron Fragments from Even-Electron Protonated Prodiginine Precursors Using Positive-Ion Electrospray Tandem Mass Spectrometry

Kan Chen, Nalaka S. Rannulu, Yang Cai, Pat Lane, Andrea L. Liebl, Bernard B. Rees, Christophe Corre, Gregory L. Challis, Richard B. Cole

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2008

Language:

english

File:

PDF, 1.78 MB

english, 2008

40

Evaluation of three short-listing methodologies for selection into postgraduate training in general practice

Fiona Patterson, Helen Baron, Victoria Carr, Simon Plint, Pat Lane

Journal:

Medical Education

Year:

2009

Language:

english

File:

PDF, 99 KB

english, 2009

41

Computational Determination of Nitroaromatic Solid Phase Heats of Formation

Peter Politzer, Pat Lane, Monica C. Concha

Journal:

Structural Chemistry

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

42

Relationships between solute molecular properties and solubility in supercritical carbon dioxide

Politzer, Peter, Murray, Jane S., Lane, Pat, Brinck, Tore

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 315 KB

english, 1993

43

Relationships of critical constants and boiling points to computed molecular surface properties

Murray, Jane S., Lane, Pat, Brinck, Tore, Paulsen, Kim, Grice, M. Edward, Politzer, Peter

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 495 KB

english, 1993

44

Investigation of relationships between solute molecule surface electrostatic potentials and solubilities in supercritical fluids

Politzer, Peter, Lane, Pat, Murray, Jane S., Brinck, Tore

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 680 KB

english, 1992

45

Relationships between computed molecular properties and solute-solvent interactions in supercritical solutions

Murray, Jane S., Lane, Pat, Brinck, Tore, Politzer, Peter

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 485 KB

english, 1993

46

A computational study of some 1,4-diaminobutanes and their protonated forms

Peter Politzer, Imam M. Elminyawi, Pat Lane, Robert L. McKenney Jr.

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1989

Language:

english

File:

PDF, 601 KB

english, 1989

47

A computational analysis of some possible hydrogen transfer and intramolecular ring formation reactions of o-nitrotoluene and o-nitroaniline

Jane S. Murray, Pat Lane, Peter Politzer, Paul R. Bolduc, Robert L. McKenney Jr.

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 634 KB

english, 1990

48

Electrostatic potential analysis of the π regions of some naphthalene derivatives

Jane S. Murray, Pat Lane, Peter Politzer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 953 KB

english, 1990

49

A computational study of structural and reactive properties of imidazolidine, piperazine, and their N,N-dinitro derivatives

Jane S. Murray, Paul C. Redfern, Pat Lane, Peter Politzer, Rodney L. Willer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 908 KB

english, 1990

50

Anomalous energy effects associated with the presence of aza nitrogens and nitro substituents in some strained systems

Jane S. Murray, Jorge M. Seminario, Pat Lane, Peter Politzer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 450 KB

english, 1990