Branko Ruščič: search on Z-Library

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1

Modeling nitrogen chemistry in combustion

Glarborg, Peter, Miller, James A., Ruscic, Branko, Klippenstein, Stephen J.

Journal:

Progress in Energy and Combustion Science

Year:

2018

Language:

english

File:

PDF, 9.63 MB

english, 2018

2

Benchmark atomization energy of ethane: Importance of accurate zero-point vibrational energies and diagonal Born–Oppenheimer corrections for a ‘simple’ organic molecule

Amir Karton, Branko Ruscic, Jan M.L. Martin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 167 KB

english, 2007

3

W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

Karton, Amir, Rabinovich, Elena, Martin, Jan M. L., Ruscic, Branko

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 486 KB

english, 2006

4

Standard electrode potentials involving radicals in aqueous solution: inorganic radicals (IUPAC Technical Report)

Armstrong, David A., Huie, Robert E., Koppenol, Willem H., Lymar, Sergei V., Merényi, Gábor, Neta, Pedatsur, Ruscic, Branko, Stanbury, David M., Steenken, Steen, Wardman, Peter

Journal:

Pure & Applied Chemistry

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

5

Bond Dissociation Energies for Diatomic Molecules Containing 3d Transition Metals: Benchmark Scalar-Relativistic Coupled-Cluster Calculations for 20 Molecules

Cheng, Lan, Gauss, Jürgen, Ruscic, Branko, Armentrout, Peter B., Stanton, John F.

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 493 KB

english, 2017

6

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

Ruscic, Branko, Wagner, Albert F., Harding, Lawrence B., Asher, Robert L., Feller, David, Dixon, David A., Peterson, Kirk A., Song, Yang, Qian, Ximei, Ng, Cheuk-Yiu, Liu, Jianbo, Chen, Wenwu, Schwenke

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 241 KB

english, 2002

7

[Computer Aided Chemical Engineering] Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion Volume 45 || Thermochemistry

Year:

2019

Language:

english

File:

PDF, 1.50 MB

english, 2019

8

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview

Harding, Michael E., Vázquez, Juana, Ruscic, Branko, Wilson, Angela K., Gauss, Jürgen, Stanton, John F.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 665 KB

english, 2008

9

Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory

Wim Klopper, Branko Ruscic, David P. Tew, Florian A. Bischoff, Sandra Wolfsegger

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 278 KB

english, 2009

10

Characterization of nitrogen-containing radical products from the photodissociation of trimethylamine using photoionization detection

Forde, Nancy R., Butler, Laurie J., Ruscic, Branko, Sorkhabi, Osman, Qi, Fei, Suits, Arthur

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 380 KB

english, 2000

11

Toward accurate high temperature anharmonic partition functions

Bross, David H., Jasper, Ahren W., Ruscic, Branko, Wagner, Albert F.

Journal:

Proceedings of the Combustion Institute

Year:

2018

Language:

english

File:

PDF, 638 KB

english, 2018

12

An Experimental and Theoretical Study of the Thermal Decomposition of C 4 H 6 Isomers

Lockhart, James Philip Andrew, Goldsmith, C. Franklin, Randazzo, John Batista, Ruscic, Branko, Tranter, Robert Simon

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 8.10 MB

english, 2017

13

Enthalpy of Formation of N 2 H 4 (Hydrazine) Revisited

Feller, David F., Bross, David, Ruscic, Branko

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 830 KB

english, 2017

14

Prompt NO formation in flames: The influence of NCN thermochemistry

Goos, Elke, Sickfeld, Christina, Mauß, Fabian, Seidel, Lars, Ruscic, Branko, Burcat, Alexander, Zeuch, Thomas

Journal:

Proceedings of the Combustion Institute

Year:

2013

Language:

english

File:

PDF, 690 KB

english, 2013

15

Pulsed field-ionization photoelectron-photoion coincidence study of the process N[sub 2]+hν→N[sup +]+N+e[sup −]: Bond dissociation energies of N[sub 2] and N[sub 2][sup +]

Tang, Xiaonan, Hou, Yu, Ng, C. Y., Ruscic, Branko

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 359 KB

english, 2005

16

A photoionization study of trifluoromethanol, CF[sub 3]OH, trifluoromethyl hypofluorite, CF[sub 3]OF, and trifluoromethyl hypochlorite, CF[sub 3]OCl

Asher, Robert L., Appelman, Evan H., Tilson, Jeffrey L., Litorja, Maritoni, Berkowitz, Joseph, Ruscic, Branko

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 507 KB

english, 1997

17

Erratum to: Improved accuracy benchmarks of small molecules using correlation consistent basis sets

Feller, David, Peterson, Kirk A., Ruscic, Branko

Journal:

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

Year:

2015

Language:

english

File:

PDF, 337 KB

english, 2015

18

Epidural Anesthesia to Facilitate Organ Blood Flow During the First Penile Transplantation in the United States

Ruscic, Katarina J., Zamora-Berridi, Grettel J., McGovern, Francis J., Cetrulo, Curtis, Winograd, Jonathan M., Eberlin, Kyle R., Bojovic, Branko, Ko, Dicken S., Anderson, T. Anthony

Journal:

A & A Case Reports

Year:

2017

Language:

english

File:

PDF, 95 KB

english, 2017

19

ChemInform Abstract: Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of Water.

Branko Ruscic, David Feller, David A. Dixon, Kirk A. Peterson, Lawrence B. Harding, Robert L. Asher, Albert F. Wagner

Journal:

Year:

2001

File:

PDF, 26 KB

2001

20

Inhibition of hydrogen oxidation by HBr and Br2

Graham Dixon-Lewis, Paul Marshall, Branko Ruscic, Alexander Burcat, Elke Goos, Alberto Cuoci, Alessio Frassoldati, Tiziano Faravelli, Peter Glarborg

Journal:

Combustion and Flame

Year:

2012

Language:

english

File:

PDF, 1.19 MB

english, 2012

21

On the heat of formation of carbonyl fluoride, CF2O

Asher, Robert L., Appelman, Evan H., Ruscic, Branko

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 507 KB

english, 1996

22

On the heats of formation of trifluoromethyl radical CF3 and its cation CF[sub 3][sup +]

Asher, Robert L., Ruscic, Branko

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 465 KB

english, 1997

23

Thermal Dissociation and Roaming Isomerization of Nitromethane: Experiment and Theory

Annesley, Christopher J., Randazzo, John B., Klippenstein, Stephen J., Harding, Lawrence B., Jasper, Ahren W., Georgievskii, Yuri, Ruscic, Branko, Tranter, Robert S.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.99 MB

english, 2015

24

Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH 2 OH) Revisited

Bross, David H., Yu, Hua-Gen, Harding, Lawrence B, Ruscic, Branko

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 559 KB

english, 2019

25

Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of CH 2 and the Bond Dissociation Energy of CH 3 via Simultaneous Solution of the Local Thermochemical Network

Ruscic, Branko, Litorja, Maritoni, Asher, Robert L.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 12 KB

english, 2000

26

Unimolecular thermal fragmentation of ortho -benzyne

Zhang, Xu, Maccarone, Alan T., Nimlos, Mark R., Kato, Shuji, Bierbaum, Veronica M., Ellison, G. Barney, Ruscic, Branko, Simmonett, Andrew C., Allen, Wesley D., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 981 KB

english, 2007

27

Enthalpy of Formation of C 2 H 2 O 4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach

Feller, David F., Bross, David H., Ruscic, Branko

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 815 KB

english, 2019

28

Electrochemical separation of the inner monolayer in methylene blue/leucomethylene blue conductive films induced by a sulphur-modified gold surface

Jean Claviler, Vesna Svetličić, Vera Zǔtić, Branko Ruščić, Jean Chevalet

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1988

Language:

english

File:

PDF, 1.24 MB

english, 1988

29

Theoretical calculations on the reaction of ethylene with oxygen

Hou Hua, Branko Ruscic, Baoshan Wang

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 186 KB

english, 2005

30

Hartree–Fock and density functional complete basis-set (CBS) predicted nuclear shielding anisotropy and shielding tensor components

Teobald Kupka, Branko Ruscic, Robert E. Botto

Journal:

Solid State Nuclear Magnetic Resonance

Year:

2003

Language:

english

File:

PDF, 993 KB

english, 2003

31

Active Thermochemical Tables: Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO 2†

Ruscic, Branko, Pinzon, Reinhardt E., Morton, Melita L., Srinivasan, Nanda K., Su, Meng-Chih, Sutherland, James W., Michael, Joe V.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 127 KB

english, 2006

32

Direct identification of propargyl radical in combustion flames by vacuum ultraviolet photoionization mass spectrometry

Zhang, T., Tang, X. N., Lau, K.-C., Ng, C. Y., Nicolas, C., Peterka, D. S., Ahmed, M., Morton, Melita L., Ruscic, Branko, Yang, R., Wei, L. X., Huang, C. Q., Yang, B., Wang, J., Sheng, L. S., Zhang, Y

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 128 KB

english, 2006

33

Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited †

Ruscic, Branko, Pinzon, Reinhardt E., Morton, Melita L., von Laszevski, Gregor, Bittner, Sandra J., Nijsure, Sandeep G., Amin, Kaizar A., Minkoff, Michael, Wagner, Albert F.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 171 KB

english, 2004

34

Active Thermochemical Tables: Water and Water Dimer

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 734 KB

english, 2013

35

A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH 4 ): determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH 4 and CH 4+

Chang, Yih-Chung, Xiong, Bo, Bross, David H., Ruscic, Branko, Ng, C. Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.30 MB

english, 2017

36

IS HO +2 A DETECTABLE INTERSTELLAR MOLECULE?

Widicus Weaver, Susanna L., Woon, David E., Ruscic, Branko, McCall, Benjamin J.

Journal:

The Astrophysical Journal

Year:

2009

Language:

english

File:

PDF, 407 KB

english, 2009

37

Ab initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species

Klippenstein, Stephen J, Harding, Lawrence B, Ruscic, Branko

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.05 MB

english, 2017

38

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part 1.

Branko Ruscic, James E. Boggs, Alexander Burcat, Attila G. Csaszar, Jean Demaison, Rudolf Janoschek, Jan M. L. Martin, Melita L. Morton, Michel J. Rossi, John F. Stanton, et al. et al.

Journal:

Year:

2005

File:

PDF, 8 KB

2005

39

On the empirical correlation schemes for ionization energies in ring compounds

Hans Jochen Kuhn, Martin Klessinger, Branko Ruščić, Leo Klasinc

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1987

Language:

english

File:

PDF, 441 KB

english, 1987

40

Photochemical formation and transport of ozone in Athens, Greece

Hans Güsten, Günther Heinrich, Tomislav Cvitaš, Leo Klasinc, Branko Ruščič, Demetrios P. Lalas, Michael Petrakis

Journal:

Atmospheric Environment (1967)

Year:

1967

Language:

english

File:

PDF, 861 KB

english, 1967

41

Improved accuracy benchmarks of small molecules using correlation consistent basis sets

Feller, David, Peterson, Kirk A., Ruscic, Branko

Journal:

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

Year:

2014

Language:

english

File:

PDF, 419 KB

english, 2014

42

Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 5.01 MB

english, 2015

43

Photoelectron spectra of and ab initio calculations on chlorobenzenes. 1. Chlorobenzene and dichlorobenzenes

Ruscic, Branko, Klasinc, Leo, Wolf, Andreas, Knop, Jan V.

Journal:

Journal of Physical Chemistry

Year:

1981

Language:

english

File:

PDF, 536 KB

english, 1981

44

High-temperature chemistry of HCl and Cl2

Pelucchi, Matteo, Frassoldati, Alessio, Faravelli, Tiziano, Ruscic, Branko, Glarborg, Peter

Journal:

Combustion and Flame

Year:

2015

Language:

english

File:

PDF, 2.27 MB

english, 2015

45

Toward Hartree−Fock- and Density Functional Complete Basis-Set-Predicted NMR Parameters

Kupka, Teobald, Ruscic, Branko, Botto, Robert E.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 195 KB

english, 2002

46

Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 231 KB

english, 2014

47

Direct observation of the ionization threshold of triplet methylene by photoionization mass spectrometry

Litorja, Maritoni, Ruscic, Branko

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 399 KB

english, 1998

48

The Origin of Systematic Error in the Standard Enthalpies of Formation of Hydrocarbons Computed via Atomization Schemes

Gyula Tasi, Róbert Izsák, Gergely Matisz, Attila G. Császár, Mihály Kállay, Branko Ruscic, John F. Stanton

Journal:

Year:

2006

Language:

english

File:

PDF, 72 KB

english, 2006

49

Photoionization of HOCO revisited: a new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation

Branko Ruscic, Maritoni Litorja

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 82 KB

english, 2000

50

Kinetics of the Reaction of Methyl Radical with Hydroxyl Radical and Methanol Decomposition †

Jasper, Ahren W., Klippenstein, Stephen J., Harding, Lawrence B., Ruscic, Branko

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 253 KB

english, 2007

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