메뉴 건너뛰기




Volumn 119, Issue 42, 2015, Pages 10511-10526

A Database of Formation Enthalpies of Nitrogen Species by Compound Methods (CBS-QB3, CBS-APNO, G3, G4)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; DATABASE SYSTEMS; ENTHALPY; HYDRAZINE; MOLECULES; QUANTUM CHEMISTRY;

EID: 84945308306     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b06054     Document Type: Article
Times cited : (48)

References (131)
  • 1
    • 57149144731 scopus 로고    scopus 로고
    • A Survey of Factors Contributing to Accurate Theoretical Predictions of Atomization Energies and Molecular Structures
    • Feller, D.; Peterson, K. A.; Dixon, D. A. A Survey of Factors Contributing to Accurate Theoretical Predictions of Atomization Energies and Molecular Structures J. Chem. Phys. 2008, 129, 204105 10.1063/1.3008061
    • (2008) J. Chem. Phys. , vol.129 , pp. 204105
    • Feller, D.1    Peterson, K.A.2    Dixon, D.A.3
  • 2
    • 84855487433 scopus 로고    scopus 로고
    • Chemical Accuracy in Ab Initio Thermochemistry and Spectroscopy: Current Strategies and Future Challenges
    • Peterson, K. A.; Feller, D.; Dixon, D. A. Chemical Accuracy in Ab Initio Thermochemistry and Spectroscopy: Current Strategies and Future Challenges. Theor. Chem. Acc. 2012, 131, 1.
    • (2012) Theor. Chem. Acc. , vol.131 , Issue.1
    • Peterson, K.A.1    Feller, D.2    Dixon, D.A.3
  • 4
    • 33747293832 scopus 로고    scopus 로고
    • High-Accuracy Extrapolated Ab Initio Thermochemistry. II. Minor Improvements to the Protocol and a Vital Simplification
    • Bomble, Y. J.; Vazquez, J.; Kallay, M.; Michauk, C.; Szalay, P. G.; Császár, A. G.; Gauss, J.; Stanton, J. F. High-Accuracy Extrapolated Ab Initio Thermochemistry. II. Minor Improvements to the Protocol and a Vital Simplification J. Chem. Phys. 2006, 125, 064108 10.1063/1.2206789
    • (2006) J. Chem. Phys. , vol.125 , pp. 064108
    • Bomble, Y.J.1    Vazquez, J.2    Kallay, M.3    Michauk, C.4    Szalay, P.G.5    Császár, A.G.6    Gauss, J.7    Stanton, J.F.8
  • 5
    • 41049111804 scopus 로고    scopus 로고
    • High-Accuracy Extrapolated Ab Initio Thermochemistry. III. Additional Improvements and Overview
    • Harding, M. E.; Vazquez, J.; Ruscic, B.; Wilson, A. K.; Gauss, J.; Stanton, J. F. High-Accuracy Extrapolated Ab Initio Thermochemistry. III. Additional Improvements and Overview J. Chem. Phys. 2008, 128, 114111 10.1063/1.2835612
    • (2008) J. Chem. Phys. , vol.128 , pp. 114111
    • Harding, M.E.1    Vazquez, J.2    Ruscic, B.3    Wilson, A.K.4    Gauss, J.5    Stanton, J.F.6
  • 6
    • 0037936940 scopus 로고    scopus 로고
    • In Pursuit of the Ab Initio Limit for Conformational Energy Prototypes
    • Császár, A. G.; Allen, W. D.; Schaefer, H. F. In Pursuit of the Ab Initio Limit for Conformational Energy Prototypes J. Chem. Phys. 1998, 108, 9751-9764 10.1063/1.476449
    • (1998) J. Chem. Phys. , vol.108 , pp. 9751-9764
    • Császár, A.G.1    Allen, W.D.2    Schaefer, H.F.3
  • 7
    • 0001750657 scopus 로고    scopus 로고
    • Towards Standard Methods for Benchmark Quality Ab Initio Thermochemistry-W1 and W2 Theory
    • Martin, J. M. L.; de Oliveira, G. Towards Standard Methods for Benchmark Quality Ab Initio Thermochemistry-W1 and W2 Theory J. Chem. Phys. 1999, 111, 1843-1856 10.1063/1.479454
    • (1999) J. Chem. Phys. , vol.111 , pp. 1843-1856
    • Martin, J.M.L.1    De Oliveira, G.2
  • 8
    • 1842424174 scopus 로고    scopus 로고
    • W3 Theory: Robust Computational Thermochemistry in the kJ/mol Accuracy Range
    • Boese, A. D.; Oren, M.; Atasoylu, O.; Martin, J. M. L.; Kallay, M.; Gauss, J. W3 Theory: Robust Computational Thermochemistry in the kJ/mol Accuracy Range J. Chem. Phys. 2004, 120, 4129-4141 10.1063/1.1638736
    • (2004) J. Chem. Phys. , vol.120 , pp. 4129-4141
    • Boese, A.D.1    Oren, M.2    Atasoylu, O.3    Martin, J.M.L.4    Kallay, M.5    Gauss, J.6
  • 9
    • 33750004854 scopus 로고    scopus 로고
    • W4 Theory for Computational Thermochemistry: In Pursuit of Confident Sub-kJ/mol Predictions
    • Karton, A.; Rabinovich, E.; Martin, J. M. L.; Ruscic, B. W4 Theory for Computational Thermochemistry: In Pursuit of Confident Sub-kJ/mol Predictions J. Chem. Phys. 2006, 125, 144108 10.1063/1.2348881
    • (2006) J. Chem. Phys. , vol.125 , pp. 144108
    • Karton, A.1    Rabinovich, E.2    Martin, J.M.L.3    Ruscic, B.4
  • 10
    • 84866512446 scopus 로고    scopus 로고
    • Further Benchmarks of a Composite, Convergent, Statistically Calibrated Coupled-Cluster-Based Approach for Thermochemical and Spectroscopic Studies
    • Feller, D.; Peterson, K. A.; Dixon, D. A. Further Benchmarks of a Composite, Convergent, Statistically Calibrated Coupled-Cluster-Based Approach for Thermochemical and Spectroscopic Studies Mol. Phys. 2012, 110, 2381-2399 10.1080/00268976.2012.684897
    • (2012) Mol. Phys. , vol.110 , pp. 2381-2399
    • Feller, D.1    Peterson, K.A.2    Dixon, D.A.3
  • 11
    • 84866508548 scopus 로고    scopus 로고
    • A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions across the Periodic Table
    • In; Elsevier: The Netherlands
    • Dixon, D. A.; Feller, D.; Peterson, K. A. A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions across the Periodic Table. In Annual Reports in Computational Chemistry; Elsevier: The Netherlands, 2012; Vol. 8.
    • (2012) Annual Reports in Computational Chemistry , vol.8
    • Dixon, D.A.1    Feller, D.2    Peterson, K.A.3
  • 12
    • 84918843375 scopus 로고    scopus 로고
    • Simplified Wave Function Models in Thermochemical Protocols Based on Bond Separation Reactions
    • Bakowies, D. Simplified Wave Function Models in Thermochemical Protocols Based on Bond Separation Reactions J. Phys. Chem. A 2014, 118, 11811-11827 10.1021/jp510249v
    • (2014) J. Phys. Chem. A , vol.118 , pp. 11811-11827
    • Bakowies, D.1
  • 14
    • 33846353814 scopus 로고    scopus 로고
    • Quantum Chemical Study of the Structure and Thermochemistry of the Five-Membered Nitrogen-Containing Heterocycles and Their Anions and Radicals
    • da Silva, G.; Moore, E. E.; Bozzelli, J. W. Quantum Chemical Study of the Structure and Thermochemistry of the Five-Membered Nitrogen-Containing Heterocycles and Their Anions and Radicals J. Phys. Chem. A 2006, 110, 13979-13988 10.1021/jp065150w
    • (2006) J. Phys. Chem. A , vol.110 , pp. 13979-13988
    • Da Silva, G.1    Moore, E.E.2    Bozzelli, J.W.3
  • 15
    • 53849127174 scopus 로고    scopus 로고
    • Thermochemical Properties and Group Values for Nitrogen-Containing Molecules
    • Ashcraft, R. W.; Green, W. H. Thermochemical Properties and Group Values for Nitrogen-Containing Molecules J. Phys. Chem. A 2008, 112, 9144-9152 10.1021/jp803759m
    • (2008) J. Phys. Chem. A , vol.112 , pp. 9144-9152
    • Ashcraft, R.W.1    Green, W.H.2
  • 16
    • 84856748005 scopus 로고    scopus 로고
    • Theoretical Thermochemistry: Enthalpies of Formation of a Set of Nitrogen-Containing Compounds
    • He, X.; Zhang, J.; Gao, H. Theoretical Thermochemistry: Enthalpies of Formation of a Set of Nitrogen-Containing Compounds Int. J. Quantum Chem. 2012, 112, 1688-1700 10.1002/qua.23163
    • (2012) Int. J. Quantum Chem. , vol.112 , pp. 1688-1700
    • He, X.1    Zhang, J.2    Gao, H.3
  • 17
    • 84881425663 scopus 로고    scopus 로고
    • Accurate Prediction of Enthalpies of Formation of Organic Azides by Combining G4 Theory Calculations with an Isodesmic Reaction Scheme
    • Dorofeeva, O. V.; Ryzhova, O. N.; Suntsova, M. A. Accurate Prediction of Enthalpies of Formation of Organic Azides by Combining G4 Theory Calculations with an Isodesmic Reaction Scheme J. Phys. Chem. A 2013, 117, 6835-6845 10.1021/jp404484q
    • (2013) J. Phys. Chem. A , vol.117 , pp. 6835-6845
    • Dorofeeva, O.V.1    Ryzhova, O.N.2    Suntsova, M.A.3
  • 18
    • 84937119294 scopus 로고    scopus 로고
    • Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: A Litmus Test for Cost-Effective Molecular Formation Enthalpies
    • Simmie, J. M.; Somers, K. P. Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: a Litmus Test for Cost-Effective Molecular Formation Enthalpies J. Phys. Chem. A 2015, 119, 7235-7246 10.1021/jp511403a
    • (2015) J. Phys. Chem. A , vol.119 , pp. 7235-7246
    • Simmie, J.M.1    Somers, K.P.2
  • 19
    • 84939602069 scopus 로고    scopus 로고
    • Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: Formation Enthalpies of Radicals
    • Somers, K. P.; Simmie, J. M. Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: Formation Enthalpies of Radicals J. Phys. Chem. A 2015, 119, 8922 10.1021/acs.jpca.5b05448
    • (2015) J. Phys. Chem. A , vol.119 , pp. 8922
    • Somers, K.P.1    Simmie, J.M.2
  • 23
    • 84889086709 scopus 로고    scopus 로고
    • The Gas Phase Enthalpies of Formation of Hydrazine, Its Methylated Derivatives, and the Corresponding Values for Ammonia and Its Methylated Derivatives
    • Notario, R.; Klapötke, T. M.; Liebman, J. F. The Gas Phase Enthalpies of Formation of Hydrazine, Its Methylated Derivatives, and the Corresponding Values for Ammonia and Its Methylated Derivatives Struct. Chem. 2013, 24, 1817-1819 10.1007/s11224-013-0235-z
    • (2013) Struct. Chem. , vol.24 , pp. 1817-1819
    • Notario, R.1    Klapötke, T.M.2    Liebman, J.F.3
  • 24
    • 84908018063 scopus 로고    scopus 로고
    • Use of G4 Theory for the Assessment of Inaccuracies in Experimental Enthalpies of Formation of Aliphatic Nitro Compounds and Nitramines
    • Suntsova, M. A.; Dorofeeva, O. V. Use of G4 Theory for the Assessment of Inaccuracies in Experimental Enthalpies of Formation of Aliphatic Nitro Compounds and Nitramines J. Chem. Eng. Data 2014, 59, 2813-2826 10.1021/je500440y
    • (2014) J. Chem. Eng. Data , vol.59 , pp. 2813-2826
    • Suntsova, M.A.1    Dorofeeva, O.V.2
  • 25
    • 0006012501 scopus 로고    scopus 로고
    • A Complete Basis Set Model Chemistry. VII. Use of the Minimum Population Localization Method
    • Montgomery, J. A.; Frisch, M. J.; Ochterski, J. W.; Petersson, G. A. A Complete Basis Set Model Chemistry. VII. Use of the Minimum Population Localization Method J. Chem. Phys. 2000, 112, 6532-6542 10.1063/1.481224
    • (2000) J. Chem. Phys. , vol.112 , pp. 6532-6542
    • Montgomery, J.A.1    Frisch, M.J.2    Ochterski, J.W.3    Petersson, G.A.4
  • 26
    • 0038269037 scopus 로고    scopus 로고
    • A Complete Basis Set Model Chemistry 0.5. Extensions to Six or More Heavy Atoms
    • Ochterski, J. W.; Petersson, G. A.; Montgomery, J. A. A Complete Basis Set Model Chemistry 0.5. Extensions to Six or More Heavy Atoms J. Chem. Phys. 1996, 104, 2598-2619 10.1063/1.470985
    • (1996) J. Chem. Phys. , vol.104 , pp. 2598-2619
    • Ochterski, J.W.1    Petersson, G.A.2    Montgomery, J.A.3
  • 27
    • 0012154673 scopus 로고    scopus 로고
    • Gaussian-3 (G3) Theory for Molecules Containing First and Second-Row Atoms
    • Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. Gaussian-3 (G3) Theory for Molecules Containing First and Second-Row Atoms J. Chem. Phys. 1998, 109, 7764-7776 10.1063/1.477422
    • (1998) J. Chem. Phys. , vol.109 , pp. 7764-7776
    • Curtiss, L.A.1    Raghavachari, K.2    Redfern, P.C.3    Rassolov, V.4    Pople, J.A.5
  • 30
    • 78650361272 scopus 로고    scopus 로고
    • 5NO by Threshold Photoelectron Photoion Coincidence and Active Thermochemical Tables Analysis
    • 5NO by Threshold Photoelectron Photoion Coincidence and Active Thermochemical Tables Analysis J. Phys. Chem. A 2010, 114, 13134-13145 10.1021/jp107561s
    • (2010) J. Phys. Chem. A , vol.114 , pp. 13134-13145
    • Stevens, W.R.1    Ruscic, B.2    Baer, T.3
  • 31
    • 84937867128 scopus 로고    scopus 로고
    • Communication: The Performance of Non-Iterative Coupled Cluster Quadruples Models
    • Eriksen, J. J.; Matthews, D. A.; Jorgensen, P.; Gauss, J. Communication: The Performance of Non-Iterative Coupled Cluster Quadruples Models J. Chem. Phys. 2015, 143, 041101 10.1063/1.4927247
    • (2015) J. Chem. Phys. , vol.143 , pp. 041101
    • Eriksen, J.J.1    Matthews, D.A.2    Jorgensen, P.3    Gauss, J.4
  • 32
    • 84990713479 scopus 로고
    • A Diagnostic for Determining the Quality of Single-Reference Electron Correlation Methods
    • Lee, T. J.; Taylor, P. R. A Diagnostic for Determining the Quality of Single-Reference Electron Correlation Methods Int. J. Quantum Chem. 1989, 36, 199-207 10.1002/qua.560360824
    • (1989) Int. J. Quantum Chem. , vol.36 , pp. 199-207
    • Lee, T.J.1    Taylor, P.R.2
  • 33
    • 84890104948 scopus 로고    scopus 로고
    • Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å
    • Crabtree, K. N.; Talipov, M. R.; Martinez, O., Jr.; OConnor, G. D.; Khursan, S. L.; McCarthy, M. C. Detection and Structure of HOON: Microwave Spectroscopy Reveals an O-O Bond Exceeding 1.9 Å Science 2013, 342, 1354-1357 10.1126/science.1244180
    • (2013) Science , vol.342 , pp. 1354-1357
    • Crabtree, K.N.1    Talipov, M.R.2    Martinez, O.3    O'Connor, G.D.4    Khursan, S.L.5    McCarthy, M.C.6
  • 34
    • 0000464312 scopus 로고    scopus 로고
    • The Hindered Rotor Density of States Interpolation Function (Vol 106, Pg 6675, 1997)
    • McClurg, R. B.; Flagan, R. C.; Goddard, W. A., III The Hindered Rotor Density of States Interpolation Function (Vol 106, Pg 6675, 1997) J. Chem. Phys. 1999, 111, U2-U2 10.1063/1.473664
    • (1999) J. Chem. Phys. , vol.111 , pp. U2-U2
    • McClurg, R.B.1    Flagan, R.C.2    Goddard, W.A.3
  • 35
    • 0000464312 scopus 로고    scopus 로고
    • Comment on "the Hindered Rotor Density-of-States Interpolation Function
    • McClurg, R. B. Comment on "the Hindered Rotor Density-of-States Interpolation Function J. Chem. Phys. 1997, 106, 6675 10.1063/1.480272
    • (1997) J. Chem. Phys. , vol.106 , pp. 6675
    • McClurg, R.B.1
  • 36
    • 0038632692 scopus 로고    scopus 로고
    • The Hindered Rotor Density-of-States
    • the Hindered Rotor Density-of-States. J. Chem. Phys. 1998, 108, 1748. 10.1063/1.475547
    • (1998) J. Chem. Phys. , vol.108 , pp. 1748
  • 37
    • 0348139492 scopus 로고    scopus 로고
    • J. Chem. Phys. 1999, 111, 7163-7164.10.1063/1.480272
    • (1999) J. Chem. Phys. , vol.111 , pp. 7163-7164
  • 38
    • 0032495626 scopus 로고    scopus 로고
    • Identification and Treatment of Internal Rotation in Normal Mode Vibrational Analysis
    • Ayala, P. Y.; Schlegel, H. B. Identification and Treatment of Internal Rotation in Normal Mode Vibrational Analysis J. Chem. Phys. 1998, 108, 2314-2325 10.1063/1.475616
    • (1998) J. Chem. Phys. , vol.108 , pp. 2314-2325
    • Ayala, P.Y.1    Schlegel, H.B.2
  • 39
    • 0038632692 scopus 로고    scopus 로고
    • The Hindered Rotor Density-of-States
    • McClurg, R. B. The Hindered Rotor Density-of-States J. Chem. Phys. 1998, 108, 1748-1749 10.1063/1.475547
    • (1998) J. Chem. Phys. , vol.108 , pp. 1748-1749
    • McClurg, R.B.1
  • 40
    • 0000464312 scopus 로고    scopus 로고
    • The Hindered Rotor Density-of-States Interpolation Function
    • McClurg, R. B.; Flagan, R. C.; Goddard, W. A., III The Hindered Rotor Density-of-States Interpolation Function J. Chem. Phys. 1997, 106, 6675-6680 10.1063/1.473664
    • (1997) J. Chem. Phys. , vol.106 , pp. 6675-6680
    • McClurg, R.B.1    Flagan, R.C.2    Goddard, W.A.3
  • 41
    • 84897608794 scopus 로고    scopus 로고
    • Accurate Atomization Energies from Combining Coupled-Cluster Computations with Interference-Corrected Explicitly Correlated Second-Order Perturbation Theory
    • Vogiatzis, K. D.; Haunschild, R.; Klopper, W. Accurate Atomization Energies from Combining Coupled-Cluster Computations with Interference-Corrected Explicitly Correlated Second-Order Perturbation Theory Theor. Chem. Acc. 2014, 133, 1-12 10.1007/s00214-014-1446-0
    • (2014) Theor. Chem. Acc. , vol.133 , pp. 1-12
    • Vogiatzis, K.D.1    Haunschild, R.2    Klopper, W.3
  • 42
    • 84929179454 scopus 로고    scopus 로고
    • W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol-1 Accuracy
    • Chan, B.; Radom, L. W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol-1 Accuracy J. Chem. Theory Comput. 2015, 11, 2109-2119 10.1021/acs.jctc.5b00135
    • (2015) J. Chem. Theory Comput. , vol.11 , pp. 2109-2119
    • Chan, B.1    Radom, L.2
  • 43
    • 0000109748 scopus 로고    scopus 로고
    • Assessment of Gaussian-2 and Density Functional Theories for the Computation of Enthalpies of Formation
    • Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A. Assessment of Gaussian-2 and Density Functional Theories for the Computation of Enthalpies of Formation J. Chem. Phys. 1997, 106, 1063-1079 10.1063/1.473182
    • (1997) J. Chem. Phys. , vol.106 , pp. 1063-1079
    • Curtiss, L.A.1    Raghavachari, K.2    Redfern, P.C.3    Pople, J.A.4
  • 44
    • 80052252255 scopus 로고    scopus 로고
    • W4-11: A High-Confidence Benchmark Dataset for Computational Thermochemistry Derived from First-Principles W4 Data
    • Karton, A.; Daon, S.; Martin, J. M. L. W4-11: A High-Confidence Benchmark Dataset for Computational Thermochemistry Derived from First-Principles W4 Data Chem. Phys. Lett. 2011, 510, 165-178 10.1016/j.cplett.2011.05.007
    • (2011) Chem. Phys. Lett. , vol.510 , pp. 165-178
    • Karton, A.1    Daon, S.2    Martin, J.M.L.3
  • 45
    • 59349116467 scopus 로고    scopus 로고
    • Atomization Energies from Coupled-Cluster Calculations Augmented with Explicitly-Correlated Perturbation Theory
    • Klopper, W.; Ruscic, B.; Tew, D. P.; Bischoff, F. A.; Wolfsegger, S. Atomization Energies from Coupled-Cluster Calculations Augmented with Explicitly-Correlated Perturbation Theory Chem. Phys. 2009, 356, 14-24 10.1016/j.chemphys.2008.11.013
    • (2009) Chem. Phys. , vol.356 , pp. 14-24
    • Klopper, W.1    Ruscic, B.2    Tew, D.P.3    Bischoff, F.A.4    Wolfsegger, S.5
  • 47
    • 24144464486 scopus 로고    scopus 로고
    • Internal Rotation in Peroxynitrous Acid (HOONO)
    • McGrath, M. P.; Rowland, F. S. Internal Rotation in Peroxynitrous Acid (HOONO) J. Chem. Phys. 2005, 122, 134312 10.1063/1.1867435
    • (2005) J. Chem. Phys. , vol.122 , pp. 134312
    • McGrath, M.P.1    Rowland, F.S.2
  • 49
    • 0032884749 scopus 로고    scopus 로고
    • Measuring Agreement in Method Comparison Studies
    • Bland, J. M.; Altman, D. G. Measuring Agreement in Method Comparison Studies Stat. Methods Med. Res. 1999, 8, 135-160 10.1191/096228099673819272
    • (1999) Stat. Methods Med. Res. , vol.8 , pp. 135-160
    • Bland, J.M.1    Altman, D.G.2
  • 50
    • 0005191134 scopus 로고
    • The Heats of Combustion of some Nitrogen Compounds and the Apparent Energy of the N-N bond
    • Cole, L. G.; Gilbert, E. C. The Heats of Combustion of some Nitrogen Compounds and the Apparent Energy of the N-N bond J. Am. Chem. Soc. 1951, 73, 5423-5427 10.1021/ja01155a120
    • (1951) J. Am. Chem. Soc. , vol.73 , pp. 5423-5427
    • Cole, L.G.1    Gilbert, E.C.2
  • 52
    • 0000626886 scopus 로고    scopus 로고
    • NIST-JANAF Thermochemical Tables
    • 4 th ed. Amer. Inst. Phys. and Amer. Chem. Soc. New York
    • Chase, M. W., Jr. NIST-JANAF Thermochemical Tables, 4 th ed.; J. Phys. Chem. Ref. Data Monogr.; Amer. Inst. Phys. and Amer. Chem. Soc.: New York, 1998; Vol. 9.
    • (1998) J. Phys. Chem. Ref. Data Monogr. , vol.9
    • Chase, M.W.1
  • 53
    • 20844450273 scopus 로고
    • Studies on Hydrazine: The Heat of Formation of Hydrazine and of Hydrazine Hydrate
    • Hughes, A. M.; Corruccini, R. J.; Gilbert, E. C. Studies on Hydrazine: The Heat of Formation of Hydrazine and of Hydrazine Hydrate J. Am. Chem. Soc. 1939, 61, 2639-2642 10.1021/ja01265a019
    • (1939) J. Am. Chem. Soc. , vol.61 , pp. 2639-2642
    • Hughes, A.M.1    Corruccini, R.J.2    Gilbert, E.C.3
  • 54
    • 1642568779 scopus 로고    scopus 로고
    • DFT and G2MP2 Calculations of the N-N Bond Dissociation Enthalpies and Enthalpies of Formation of Hydrazine, Monomethylhydrazine and Symmetrical and Unsymmetrical Dimethylhydrazine
    • Bohn, M. A.; Klapötke, T. M. DFT and G2MP2 Calculations of the N-N Bond Dissociation Enthalpies and Enthalpies of Formation of Hydrazine, Monomethylhydrazine and Symmetrical and Unsymmetrical Dimethylhydrazine Zeit. Naturforsch. 2004, 59, 148-152
    • (2004) Zeit. Naturforsch. , vol.59 , pp. 148-152
    • Bohn, M.A.1    Klapötke, T.M.2
  • 55
    • 78049329873 scopus 로고    scopus 로고
    • Dissociation of Energy-Selected 1,1-Dimethylhydrazine Ions
    • Gengeliczki, Z.; Borkar, S. N.; Sztaray, B. Dissociation of Energy-Selected 1,1-Dimethylhydrazine Ions J. Phys. Chem. A 2010, 114, 6103-6110 10.1021/jp1017604
    • (2010) J. Phys. Chem. A , vol.114 , pp. 6103-6110
    • Gengeliczki, Z.1    Borkar, S.N.2    Sztaray, B.3
  • 60
    • 78449276754 scopus 로고    scopus 로고
    • Prediction of Thermochemical Properties for Gaseous Ammonia Oxide
    • Wang, Q.; Mannan, M. S. Prediction of Thermochemical Properties for Gaseous Ammonia Oxide J. Chem. Eng. Data 2010, 55, 5128-5132 10.1021/je1006899
    • (2010) J. Chem. Eng. Data , vol.55 , pp. 5128-5132
    • Wang, Q.1    Mannan, M.S.2
  • 62
    • 33748086600 scopus 로고
    • The Heats of Combustion of the Methyl-Substituted Hydrazines and Some Observations on the Burning of Volatile Liquids
    • Aston, J. G.; Rock, E. J.; Isserow, S. The Heats of Combustion of the Methyl-Substituted Hydrazines and Some Observations on the Burning of Volatile Liquids J. Am. Chem. Soc. 1952, 74, 2484-6 10.1021/ja01130a010
    • (1952) J. Am. Chem. Soc. , vol.74 , pp. 2484-2486
    • Aston, J.G.1    Rock, E.J.2    Isserow, S.3
  • 63
    • 0000382284 scopus 로고    scopus 로고
    • 2, Using Accurate Computed Structures and Anharmonic Force Fields
    • 2, Using Accurate Computed Structures and Anharmonic Force Fields Mol. Phys. 1999, 96, 681-692 10.1080/00268979909483004
    • (1999) Mol. Phys. , vol.96 , pp. 681-692
    • Martin, J.M.L.1    Taylor, P.R.2
  • 64
    • 84945256862 scopus 로고    scopus 로고
    • Personal communication 21 Sept
    • Personal communication 21 Sept 2015.
    • (2015)
  • 65
    • 0003300462 scopus 로고
    • Enthalpies of Combustion and Formation of Acetonitrile
    • An, X.; Mansson, M. Enthalpies of Combustion and Formation of Acetonitrile J. Chem. Thermodyn. 1983, 15, 287-293 10.1016/0021-9614(83)90121-0
    • (1983) J. Chem. Thermodyn. , vol.15 , pp. 287-293
    • An, X.1    Mansson, M.2
  • 66
    • 0001097574 scopus 로고
    • Thermochemistry of Strained-ring Bridgehead Nitriles and Esters
    • Baldt, J. H., Jr.; Hall, H. K. K. Thermochemistry of Strained-ring Bridgehead Nitriles and Esters J. Am. Chem. Soc. 1971, 93, 140-145 10.1021/ja00730a025
    • (1971) J. Am. Chem. Soc. , vol.93 , pp. 140-145
    • Baldt, J.H.1    Hall, H.K.K.2
  • 67
    • 84889090343 scopus 로고    scopus 로고
    • Pushing and Pulling Electrons: The Effect on the Heat of Formation of Trifluoromethyl Compounds
    • Bartmess, J. E.; Liebman, J. Pushing and Pulling Electrons: The Effect on the Heat of Formation of Trifluoromethyl Compounds Struct. Chem. 2013, 24, 2035-2045 10.1007/s11224-013-0296-z
    • (2013) Struct. Chem. , vol.24 , pp. 2035-2045
    • Bartmess, J.E.1    Liebman, J.2
  • 69
    • 79954445311 scopus 로고    scopus 로고
    • Theoretical Studies of Furoxan-Based Energetic Nitrogen-Rich Compounds
    • Zhu, W. H.; Zhang, C. C.; Wei, T.; Xiao, H. M. Theoretical Studies of Furoxan-Based Energetic Nitrogen-Rich Compounds Struct. Chem. 2011, 22, 149-159 10.1007/s11224-010-9696-5
    • (2011) Struct. Chem. , vol.22 , pp. 149-159
    • Zhu, W.H.1    Zhang, C.C.2    Wei, T.3    Xiao, H.M.4
  • 70
    • 0343135763 scopus 로고
    • The Heat of Formation of Methyl Nitrate
    • Ray, J. D.; Ogg, R. A. The Heat of Formation of Methyl Nitrate J. Phys. Chem. 1959, 63, 1522-1523 10.1021/j150579a054
    • (1959) J. Phys. Chem. , vol.63 , pp. 1522-1523
    • Ray, J.D.1    Ogg, R.A.2
  • 74
    • 0039838613 scopus 로고    scopus 로고
    • 2C-N(H)-O. Preparation in the Gas Phase and Characterization by Variable-Time Neutralization-Reionization Mass Spectrometry, and Ab Initio and Density Functional Theory Calculations
    • 2C-N(H)-O. Preparation in the Gas Phase and Characterization by Variable-Time Neutralization-Reionization Mass Spectrometry, and Ab Initio and Density Functional Theory Calculations J. Am. Chem. Soc. 2000, 122, 525-531 10.1021/ja993234v
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 525-531
    • Polášek, M.1    Tureček, F.2
  • 75
    • 84961976226 scopus 로고    scopus 로고
    • Formaldehyde Oxime Nitrosomethane Tautomerism
    • Long, J. A.; Harris, N. J.; Lammertsma, K. Formaldehyde Oxime Nitrosomethane Tautomerism J. Org. Chem. 2001, 66, 6762-6767 10.1021/jo010671v
    • (2001) J. Org. Chem. , vol.66 , pp. 6762-6767
    • Long, J.A.1    Harris, N.J.2    Lammertsma, K.3
  • 76
    • 77956259960 scopus 로고    scopus 로고
    • Isomerization of Nitrosomethane to Formaldoxime: Energies, Geometries, and Frequencies from the Parametric Variational Two-Electron Reduced-Density-Matrix Method
    • DePrince, A. E., III; Mazziotti, D. A. Isomerization of Nitrosomethane to Formaldoxime: Energies, Geometries, and Frequencies from the Parametric Variational Two-Electron Reduced-Density-Matrix Method J. Chem. Phys. 2010, 133, 034112 10.1063/1.3458641
    • (2010) J. Chem. Phys. , vol.133 , pp. 034112
    • DePrince, A.E.1    Mazziotti, D.A.2
  • 77
    • 77950371537 scopus 로고    scopus 로고
    • Computational Calculation of Heat of Formation for a Series of Substituted Furan Derivatives by DFT Methods
    • Li, S.; Zhang, J.; Gao, H.; Zhou, W.; Zhou, Z. Computational Calculation of Heat of Formation for a Series of Substituted Furan Derivatives by DFT Methods J. Mol. Struct.: THEOCHEM 2010, 948, 108-110 10.1016/j.theochem.2010.02.012
    • (2010) J. Mol. Struct.: THEOCHEM , vol.948 , pp. 108-110
    • Li, S.1    Zhang, J.2    Gao, H.3    Zhou, W.4    Zhou, Z.5
  • 80
    • 0040257649 scopus 로고
    • Standard Enthalpies of Combustion and Vaporization of N,N′-Dimethylaniline
    • Furukawa, J.; Sakiyama, M.; Seki, S.; Saito, Y.; Kusano, K. Standard Enthalpies of Combustion and Vaporization of N,N′-Dimethylaniline Bull. Chem. Soc. Jpn. 1982, 55, 3329-3330 10.1246/bcsj.55.3329
    • (1982) Bull. Chem. Soc. Jpn. , vol.55 , pp. 3329-3330
    • Furukawa, J.1    Sakiyama, M.2    Seki, S.3    Saito, Y.4    Kusano, K.5
  • 81
    • 84871738935 scopus 로고    scopus 로고
    • A Robust Link between the Thermochemistry of Urea and Isocyanic Acid by Dissociative Photoionization
    • Bodi, A.; Hemberger, P.; Gerber, T. A Robust Link between the Thermochemistry of Urea and Isocyanic Acid by Dissociative Photoionization J. Chem. Thermodyn. 2013, 58, 292-299 10.1016/j.jct.2012.11.013
    • (2013) J. Chem. Thermodyn. , vol.58 , pp. 292-299
    • Bodi, A.1    Hemberger, P.2    Gerber, T.3
  • 82
    • 80955132283 scopus 로고    scopus 로고
    • Thermochemical Properties of Formamide Revisited: New Experiment and Quantum Mechanical Calculations
    • Emelyanenko, V. N.; Verevkin, S. P.; Varfolomeev, M. A.; Turovtsev, V. V.; Orlov, Y. D. Thermochemical Properties of Formamide Revisited: New Experiment and Quantum Mechanical Calculations J. Chem. Eng. Data 2011, 56, 4183-4187 10.1021/je200683f
    • (2011) J. Chem. Eng. Data , vol.56 , pp. 4183-4187
    • Emelyanenko, V.N.1    Verevkin, S.P.2    Varfolomeev, M.A.3    Turovtsev, V.V.4    Orlov, Y.D.5
  • 83
    • 70350406223 scopus 로고    scopus 로고
    • Ab Initio Thermochemistry with High-Level isodesmic Corrections: Validation of the ATOMIC Protocol for a Large Set of Compounds with First-Row Atoms (H, C, N, O, F)
    • Bakowies, D. Ab Initio Thermochemistry with High-Level isodesmic Corrections: Validation of the ATOMIC Protocol for a Large Set of Compounds with First-Row Atoms (H, C, N, O, F) J. Phys. Chem. A 2009, 113, 11517-11534 10.1021/jp9027782
    • (2009) J. Phys. Chem. A , vol.113 , pp. 11517-11534
    • Bakowies, D.1
  • 84
    • 0001412909 scopus 로고
    • Enthalpies of Combustion of Ethanamide, Propanamide, and Butanamide
    • Barnes, D. S.; Pilcher, G. Enthalpies of Combustion of Ethanamide, Propanamide, and Butanamide J. Chem. Thermodyn. 1975, 7, 377-382 10.1016/0021-9614(75)90176-7
    • (1975) J. Chem. Thermodyn. , vol.7 , pp. 377-382
    • Barnes, D.S.1    Pilcher, G.2
  • 86
    • 0000052047 scopus 로고
    • Thermodynamique de Substances Azotees. IX. Etude Thermochimique de la Benzamide. Comparaison des Grandeurs Energetiques Liees a la Structure de Quelques Amides et Thioamides
    • Gomez, L. A. T.; Sabbah, R. Thermodynamique De Substances Azotees. IX. Etude Thermochimique De La Benzamide. Comparaison Des Grandeurs Energetiques Liees a La Structure De Quelques Amides et Thioamides Thermochim. Acta 1982, 58, 311-315 10.1016/0040-6031(82)87105-0
    • (1982) Thermochim. Acta , vol.58 , pp. 311-315
    • Gomez, L.A.T.1    Sabbah, R.2
  • 87
    • 84861662448 scopus 로고    scopus 로고
    • Amide Bond Dissociation Enthalpies: Effect of Substitution on N-C Bond Strength
    • Marochkin, I. I.; Dorofeeva, O. V. Amide Bond Dissociation Enthalpies: Effect of Substitution on N-C Bond Strength Comput. Theor. Chem. 2012, 991, 182-191 10.1016/j.comptc.2012.04.018
    • (2012) Comput. Theor. Chem. , vol.991 , pp. 182-191
    • Marochkin, I.I.1    Dorofeeva, O.V.2
  • 88
    • 84945290409 scopus 로고    scopus 로고
    • Ideal Gas Thermochemical Database with updates from Active Thermochemical Tables; 11 January 2014. mirrored at http://garfield.chem.elte.hu/Burcat/burcat.html; 11 January
    • Goos, E.; Burcat, A.; Ruscic, B. Ideal Gas Thermochemical Database with updates from Active Thermochemical Tables http://burcat.technion.ac.il/dir/; 11 January 2014. mirrored at http://garfield.chem.elte.hu/Burcat/burcat.html; 11 January 2014.
    • (2014)
    • Goos, E.1    Burcat, A.2    Ruscic, B.3
  • 90
    • 79953772707 scopus 로고    scopus 로고
    • High-Accuracy Theoretical Thermochemistry of Atmospherically Important Nitrogen Oxide Derivatives
    • Szakács, P.; Csontos, J.; Das, S.; Kállay, M. High-Accuracy Theoretical Thermochemistry of Atmospherically Important Nitrogen Oxide Derivatives J. Phys. Chem. A 2011, 115, 3144-3153 10.1021/jp112116x
    • (2011) J. Phys. Chem. A , vol.115 , pp. 3144-3153
    • Szakács, P.1    Csontos, J.2    Das, S.3    Kállay, M.4
  • 93
    • 84901240000 scopus 로고    scopus 로고
    • Enthalpies of Formation of Nitromethane and Nitrobenzene: New Experiments vs Quantum Chemical Calculations
    • Verevkin, S. P.; Emelyanenko, V. N.; Diky, V.; Dorofeeva, O. V. Enthalpies of Formation of Nitromethane and Nitrobenzene: New Experiments vs Quantum Chemical Calculations J. Chem. Thermodyn. 2014, 73, 163-170 10.1016/j.jct.2013.12.013
    • (2014) J. Chem. Thermodyn. , vol.73 , pp. 163-170
    • Verevkin, S.P.1    Emelyanenko, V.N.2    Diky, V.3    Dorofeeva, O.V.4
  • 94
    • 38149101687 scopus 로고    scopus 로고
    • Standard Thermodynamic Properties of Nitrobenzene in the Ideal Gas State
    • Dorofeeva, O. V.; Moiseeva, N. F. Standard Thermodynamic Properties of Nitrobenzene in the Ideal Gas State Russ. J. Phys. Chem. A 2008, 82, 136-137 10.1134/S0036024408010226
    • (2008) Russ. J. Phys. Chem. A , vol.82 , pp. 136-137
    • Dorofeeva, O.V.1    Moiseeva, N.F.2
  • 95
    • 77952288248 scopus 로고    scopus 로고
    • What Is the Enthalpy of Formation of Acrylonitrile?
    • Notario, R.; Roux, M. V.; Liebman, J. F. What Is the Enthalpy of Formation of Acrylonitrile? Struct. Chem. 2010, 21, 481-484 10.1007/s11224-009-9574-1
    • (2010) Struct. Chem. , vol.21 , pp. 481-484
    • Notario, R.1    Roux, M.V.2    Liebman, J.F.3
  • 96
    • 0038437895 scopus 로고
    • The Enthalpies of Combustion and Formation of Oxazole and Isoxazole
    • McCormick, D. G.; Hamilton, W. S. The Enthalpies of Combustion and Formation of Oxazole and Isoxazole J. Chem. Thermodyn. 1978, 10, 275-278 10.1016/0021-9614(78)90024-1
    • (1978) J. Chem. Thermodyn. , vol.10 , pp. 275-278
    • McCormick, D.G.1    Hamilton, W.S.2
  • 97
    • 0030282108 scopus 로고    scopus 로고
    • Thermodynamic Properties and Ideal-gas Enthalpies of Formation for Cyclohexene, Phthalan (2,5-Dihydrobenzo-3,4-Furan), Isoxazole, Octylamine, Dioctylamine, Trioctylamine, Phenyl Isocyanate, and 1,4,5,6-Tetrahydropyrimidine
    • Steele, W. V.; Chirico, R. D.; Knipmeyer, S. E.; Nguyen, A.; Smith, N. K.; Tasker, I. R. Thermodynamic Properties and Ideal-gas Enthalpies of Formation for Cyclohexene, Phthalan (2,5-Dihydrobenzo-3,4-Furan), Isoxazole, Octylamine, Dioctylamine, Trioctylamine, Phenyl Isocyanate, and 1,4,5,6-Tetrahydropyrimidine J. Chem. Eng. Data 1996, 41, 1269-1284 10.1021/je960093t
    • (1996) J. Chem. Eng. Data , vol.41 , pp. 1269-1284
    • Steele, W.V.1    Chirico, R.D.2    Knipmeyer, S.E.3    Nguyen, A.4    Smith, N.K.5    Tasker, I.R.6
  • 98
    • 0039649677 scopus 로고
    • The Second Virial Coefficients of Pyridine and Benzene, and Certain of their Methyl Homologues
    • Andon, R. J. L.; Cox, J. D.; Herington, E. F. G.; Martin, J. F. The Second Virial Coefficients of Pyridine and Benzene, and Certain of their Methyl Homologues Trans. Faraday Soc. 1957, 53, 1074 10.1039/tf9575301074
    • (1957) Trans. Faraday Soc. , vol.53 , pp. 1074
    • Andon, R.J.L.1    Cox, J.D.2    Herington, E.F.G.3    Martin, J.F.4
  • 99
    • 37049168698 scopus 로고
    • The Heats of Combustion of Pyridine and Certain of its Derivatives
    • Cox, J. D.; Challoner, A. R.; Meetham, A. R. The Heats of Combustion of Pyridine and Certain of its Derivatives J. Chem. Soc. 1954, 265-271 10.1039/jr9540000265
    • (1954) J. Chem. Soc. , pp. 265-271
    • Cox, J.D.1    Challoner, A.R.2    Meetham, A.R.3
  • 100
    • 0000043589 scopus 로고
    • Thermodynamics of Nitrogen-Compounds 0.2. Thermochemistry of Aminobenzoic Acids, Pyrimidine, Uracil and Thymine
    • Nabavian, M.; Sabbah, R.; Chastel, R.; Laffitte, M. Thermodynamics of Nitrogen-Compounds 0.2. Thermochemistry of Aminobenzoic Acids, Pyrimidine, Uracil and Thymine J. Chim. Phys. Physico-Chimie Biol. 1977, 74, 115-126
    • (1977) J. Chim. Phys. Physico-Chimie Biol. , vol.74 , pp. 115-126
    • Nabavian, M.1    Sabbah, R.2    Chastel, R.3    Laffitte, M.4
  • 102
    • 0000255509 scopus 로고
    • The Heats of Combustion and Formation of the Three Diazines and their Resonance Energies
    • Tjebbes, J.; Mollberg, R.; Lindberg, B.; McKay, J.; Theander, O.; Flood, H. The Heats of Combustion and Formation of the Three Diazines and their Resonance Energies Acta Chem. Scand. 1962, 16, 916-921 10.3891/acta.chem.scand.16-0916
    • (1962) Acta Chem. Scand. , vol.16 , pp. 916-921
    • Tjebbes, J.1    Mollberg, R.2    Lindberg, B.3    McKay, J.4    Theander, O.5    Flood, H.6
  • 104
  • 105
    • 0000087903 scopus 로고
    • Thermodynamic and Spectroscopic Study of Pyrrolidine. I. Thermodynamic Properties in the Solid, Liquid, and Vapor States
    • Hildenbrand, D. L.; Sinke, G. C.; McDonald, R. A.; Kramer, W. R.; Stull, D. R. Thermodynamic and Spectroscopic Study of Pyrrolidine. I. Thermodynamic Properties in the Solid, Liquid, and Vapor States J. Chem. Phys. 1959, 31, 650-654 10.1063/1.1730441
    • (1959) J. Chem. Phys. , vol.31 , pp. 650-654
    • Hildenbrand, D.L.1    Sinke, G.C.2    McDonald, R.A.3    Kramer, W.R.4    Stull, D.R.5
  • 106
    • 0000654279 scopus 로고
    • Pyrrolidine: Chemical Thermodynamic Properties between 0 and 1500 K; Effect of Pseudorotation; And an Unusual Thermal Anomaly in the Liquid State
    • McCullough, J. P.; Douslin, D. R.; Hubbard, W. N.; Todd, S. S.; Messerly, J. F.; Hossenlopp, I. A.; Frow, F. R.; Dawson, J. P.; Waddington, G. Pyrrolidine: Chemical Thermodynamic Properties between 0 and 1500 K; Effect of Pseudorotation; and an Unusual Thermal Anomaly in the Liquid State J. Am. Chem. Soc. 1959, 81, 5884-5890 10.1021/ja01531a010
    • (1959) J. Am. Chem. Soc. , vol.81 , pp. 5884-5890
    • McCullough, J.P.1    Douslin, D.R.2    Hubbard, W.N.3    Todd, S.S.4    Messerly, J.F.5    Hossenlopp, I.A.6    Frow, F.R.7    Dawson, J.P.8    Waddington, G.9
  • 107
    • 0009819853 scopus 로고
    • The Heats of Combustion and Formation of Pyridine and Hippuric acid
    • Hubbard, W. N.; Frow, F. R.; Waddington, G. The Heats of Combustion and Formation of Pyridine and Hippuric acid J. Phys. Chem. 1961, 65, 1326-1328 10.1021/j100826a011
    • (1961) J. Phys. Chem. , vol.65 , pp. 1326-1328
    • Hubbard, W.N.1    Frow, F.R.2    Waddington, G.3
  • 109
    • 0001971305 scopus 로고
    • Heats of Formation and Bond Energies Part 10. 1,2,5,6-Tetrahydropyridine, Piperidine, and Piperazine
    • Bedford, A. F.; Beezer, A. E.; Mortimer, C. T. Heats of Formation and Bond Energies Part 10. 1,2,5,6-Tetrahydropyridine, Piperidine, and Piperazine J. Chem. Soc. 1963, 2039 10.1039/jr9630002039
    • (1963) J. Chem. Soc. , pp. 2039
    • Bedford, A.F.1    Beezer, A.E.2    Mortimer, C.T.3
  • 110
    • 84863616375 scopus 로고    scopus 로고
    • Group Additivity Values for Estimating the Enthalpy of Formation of Organic Compounds: An Update and Reappraisal. 2. C, H, N, O, S, and Halogens
    • Holmes, J. L.; Aubry, C. Group Additivity Values for Estimating the Enthalpy of Formation of Organic Compounds: An Update and Reappraisal. 2. C, H, N, O, S, and Halogens J. Phys. Chem. A 2012, 116, 7196-7209 10.1021/jp303780m
    • (2012) J. Phys. Chem. A , vol.116 , pp. 7196-7209
    • Holmes, J.L.1    Aubry, C.2
  • 112
    • 84872905373 scopus 로고    scopus 로고
    • Coupled Cluster Investigation of the Axial and Equatorial Isomers of Pyrrolidine
    • Denis, P. A. Coupled Cluster Investigation of the Axial and Equatorial Isomers of Pyrrolidine Mol. Phys. 2013, 111, 9-17 10.1080/00268976.2012.698317
    • (2013) Mol. Phys. , vol.111 , pp. 9-17
    • Denis, P.A.1
  • 113
    • 37049043825 scopus 로고
    • Measurements of Heats of Combustion by Flame Calorimetry Part 3 Ethylene Oxide, Trimethylene Oxide, Tetrahydrofuran and Tetrahydropyran
    • Pell, A. S.; Pilcher, G. Measurements of Heats of Combustion by Flame Calorimetry Part 3 Ethylene Oxide, Trimethylene Oxide, Tetrahydrofuran and Tetrahydropyran Trans. Faraday Soc. 1965, 61, 71-77 10.1039/tf9656100071
    • (1965) Trans. Faraday Soc. , vol.61 , pp. 71-77
    • Pell, A.S.1    Pilcher, G.2
  • 114
    • 84945304618 scopus 로고    scopus 로고
    • NIST Chemistry WebBook, NIST Standard Reference Database Number 69 accessed 29 April
    • NIST Chemistry WebBook, NIST Standard Reference Database Number 69 http://webbook.nist.gov/chemistry/form-ser.html accessed 29 April 2015.
    • (2015)
  • 115
    • 0001065191 scopus 로고    scopus 로고
    • Thermodynamic Properties of the Methylpyridines. Part 2. Vapor Pressures, Heat Capacities, Critical Properties, Derived Thermodynamic Functions between the Temperatures 250 and 560 K, and Equilibrium Isomer Distributions for All Temperatures ≤ 250 K
    • Chirico, R. D.; Knipmeyer, S. E.; Nguyen, A.; Steele, W. V. Thermodynamic Properties of the Methylpyridines. Part 2. Vapor Pressures, Heat Capacities, Critical Properties, Derived Thermodynamic Functions between the Temperatures 250 and 560 K, and Equilibrium Isomer Distributions for All Temperatures ≤ 250 K J. Chem. Thermodyn. 1999, 31, 339-378 10.1006/jcht.1998.0451
    • (1999) J. Chem. Thermodyn. , vol.31 , pp. 339-378
    • Chirico, R.D.1    Knipmeyer, S.E.2    Nguyen, A.3    Steele, W.V.4
  • 117
    • 37049059014 scopus 로고
    • Heats of Combustion. Part II. the Six Lutidines
    • Cox, J. D.; Gundry, H. A. Heats of Combustion. Part II. The Six Lutidines J. Chem. Soc. 1958, 1019-1022 10.1039/jr9580001019
    • (1958) J. Chem. Soc. , pp. 1019-1022
    • Cox, J.D.1    Gundry, H.A.2
  • 119
    • 0011083499 scopus 로고
    • Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint
    • NBO Version 3.1; Reed, A. E. Curtiss, L. A. Weinhold, F. see
    • Glendenning, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO Version 3.1; Reed, A. E.; Curtiss, L. A.; Weinhold, F., Eds.; see Intermolecular Interactions from a Natural Bond Orbital, Donor-Acceptor Viewpoint. Chem. Rev. 1988, 88, 899-926.
    • (1988) Chem. Rev. , vol.88 , pp. 899-926
    • Glendenning, E.D.1    Reed, A.E.2    Carpenter, J.E.3    Weinhold, F.4
  • 121
    • 33646521063 scopus 로고    scopus 로고
    • Combined Experimental and Computational Study of the Thermochemistry of Methylpiperidines
    • Ribeiro da Silva, M. A. V.; Cabral, J. I. T. A.; Gomes, P.; Gomes, J. R. B. Combined Experimental and Computational Study of the Thermochemistry of Methylpiperidines J. Org. Chem. 2006, 71, 3677-85 10.1021/jo052468w
    • (2006) J. Org. Chem. , vol.71 , pp. 3677-3685
    • Ribeiro da Silva, M.A.V.1    Cabral, J.I.T.A.2    Gomes, P.3    Gomes, J.R.B.4
  • 122
    • 0001134852 scopus 로고    scopus 로고
    • Thermochemistry of Amines: Experimental Standard Molar Enthalpies of Formation of N-alkylated Piperidines
    • Verevkin, S. P. Thermochemistry of Amines: Experimental Standard Molar Enthalpies of Formation of N-alkylated Piperidines Struct. Chem. 1998, 9, 113-119 10.1023/A:1022459803871
    • (1998) Struct. Chem. , vol.9 , pp. 113-119
    • Verevkin, S.P.1
  • 123
    • 6244267697 scopus 로고
    • Enthalpies of Combustion of 9 Organic Nitrogen-Compounds Related to Petroleum
    • Good, W. D. Enthalpies of Combustion of 9 Organic Nitrogen-Compounds Related to Petroleum J. Chem. Eng. Data 1972, 17, 28 10.1021/je60052a038
    • (1972) J. Chem. Eng. Data , vol.17 , pp. 28
    • Good, W.D.1
  • 124
    • 0010447439 scopus 로고    scopus 로고
    • Thermochemistry of Amines: Experimental Standard Molar Enthalpies of Formation of Some Aliphatic and Aromatic Amines
    • Verevkin, S. P. Thermochemistry of Amines: Experimental Standard Molar Enthalpies of Formation of Some Aliphatic and Aromatic Amines J. Chem. Thermodyn. 1997, 29, 891-899 10.1006/jcht.1997.0212
    • (1997) J. Chem. Thermodyn. , vol.29 , pp. 891-899
    • Verevkin, S.P.1
  • 125
    • 33749867208 scopus 로고    scopus 로고
    • Thermochemistry of Some Derivatives of 2-and 4-Piperidone
    • Ribeiro da Silva, M. A. V.; Cabral, J. I. T. A. Thermochemistry of Some Derivatives of 2-and 4-Piperidone J. Chem. Eng. Data 2006, 51, 1556-1561 10.1021/je060046t
    • (2006) J. Chem. Eng. Data , vol.51 , pp. 1556-1561
    • Ribeiro da Silva, M.A.V.1    Cabral, J.I.T.A.2
  • 126
    • 84874959558 scopus 로고    scopus 로고
    • Pyrolysis of Dimethylhydrazine for the MOVPE Growth of GaN and InN Monitored by in-Situ Quadrupole Mass Spectrometry
    • Thieu, Q. T.; Inamoto, T.; Kuboya, S.; Onabe, K. Pyrolysis of Dimethylhydrazine for the MOVPE Growth of GaN and InN Monitored by in-Situ Quadrupole Mass Spectrometry Phys. Status Solidi C 2013, 10, 405-408 10.1002/pssc.201200671
    • (2013) Phys. Status Solidi C , vol.10 , pp. 405-408
    • Thieu, Q.T.1    Inamoto, T.2    Kuboya, S.3    Onabe, K.4
  • 127
    • 84937133197 scopus 로고    scopus 로고
    • Statistical Electronic Structure Calibration Study of the CCSD(T)-F12b Method for Atomization Energies
    • Feller, D. Statistical Electronic Structure Calibration Study of the CCSD(T)-F12b Method for Atomization Energies J. Phys. Chem. A 2015, 119, 7375 10.1021/acs.jpca.5b00487
    • (2015) J. Phys. Chem. A , vol.119 , pp. 7375
    • Feller, D.1
  • 128
    • 84930959364 scopus 로고    scopus 로고
    • 2 as a High-Energy Density Material: Promising or Not
    • Vol. p. DOI
    • 2 as a High-Energy Density Material: Promising or Not ? RSC Adv. 2015, Vol. 5, p 46648. DOI: 10.1039/C5RA06797A.
    • (2015) RSC Adv. , vol.5 , pp. 46648
    • He, F.1    Zhang, X.2    Ding, Y.3
  • 129
    • 84872862005 scopus 로고    scopus 로고
    • No Longer a Complex, Not yet a Molecule: A Challenging Case of Nitrosyl O-Hydroxide, HOON
    • Talipov, M. R.; Timerghazin, Q. K.; Safiullin, R. L.; Khursan, S. L. No Longer a Complex, Not yet a Molecule: A Challenging Case of Nitrosyl O-Hydroxide, HOON J. Phys. Chem. A 2013, 117, 679-685 10.1021/jp3110858
    • (2013) J. Phys. Chem. A , vol.117 , pp. 679-685
    • Talipov, M.R.1    Timerghazin, Q.K.2    Safiullin, R.L.3    Khursan, S.L.4
  • 131
    • 84927759837 scopus 로고    scopus 로고
    • Thermochemistry of Uracil and Thymine Revisited
    • Emelyanenko, V. N.; Verevkin, S. P.; Notario, R. Thermochemistry of Uracil and Thymine Revisited J. Chem. Thermodyn. 2015, 87, 129-135 10.1016/j.jct.2015.03.015
    • (2015) J. Chem. Thermodyn. , vol.87 , pp. 129-135
    • Emelyanenko, V.N.1    Verevkin, S.P.2    Notario, R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.