Композитні методи квантової хімії (Ukrainian Wikipedia)

Analysis of information sources in references of the Wikipedia article "Композитні методи квантової хімії" in Ukrainian language version.

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20doi.org

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8harvard.edu

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8nih.gov

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4arxiv.org

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2web.archive.org

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2worldcat.org

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2uwa.edu.au

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1unt.edu

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arxiv.org

J. M. L. Martin; G. de Oliveira (1999). Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory. Journal of Chemical Physics. 111 (5): 1843—1856. arXiv:physics/9904038. Bibcode:1999JChPh.111.1843M. doi:10.1063/1.479454.
A. D. Boese; M. Oren; O. Atasoylu; J. M. L. Martin; M. Kállay; J. Gauss (2004). W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range. Journal of Chemical Physics. 120 (9): 4129—4141. arXiv:physics/0311067. Bibcode:2004JChPh.120.4129B. doi:10.1063/1.1638736. PMID 15268579.
A. Karton; E. Rabinovich; J. M. L. Martin; B. Ruscic (2006). W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. Journal of Chemical Physics. 125 (14): 144108. arXiv:physics/0608123. Bibcode:2006JChPh.125n4108K. doi:10.1063/1.2348881. PMID 17042580.
A. Karton; J. M. L. Martin (2010). Performance of W4 theory for spectroscopic constants and electrical properties of small molecules. Journal of Chemical Physics. 133 (14): 144102. arXiv:1008.4163. Bibcode:2010JChPh.133n4102K. doi:10.1063/1.3489113. PMID 20949982.

doi.org

A. Karton (2016). A computational chemist's guide to accurate thermochemistry for organic molecules (PDF). Wiley Interdisciplinary Reviews: Computational Molecular Science. 6 (3): 292—310. doi:10.1002/wcms.1249. Архів оригіналу (PDF) за 26 Червня 2021. Процитовано 26 Червня 2021.
Ohlinger, William S.; Philip E. Klunzinger; Bernard J. Deppmeier; Warren J. Hehre (January 2009). Efficient Calculation of Heats of Formation. The Journal of Physical Chemistry A. ACS Publications. 113 (10): 2165—2175. Bibcode:2009JPCA..113.2165O. doi:10.1021/jp810144q. PMID 19222177.
Fabian, Walter M. F. (2008). Accurate thermochemistry from quantum chemical calculations?. Monatshefte für Chemie. 139 (4): 309—318. doi:10.1007/s00706-007-0798-8.
Pople, John A.; Head-Gordon M.; Fox D.J.; Raghavachari K.; Raghavachari K. (May 1989). Gaussian-1 theory: A general procedure for prediction of molecular energies. The Journal of Chemical Physics. AIP. 90 (10): 5622—5629. doi:10.1063/1.456415.
Curtiss, Larry A.; Krishnan Raghavachari; Gary W. Trucks; John A. Pople (June 1991). Gaussian-2 theory for molecular energies of first- and second-row compounds. The Journal of Chemical Physics. AIP. 94 (11): 7221—7230. doi:10.1063/1.460205.
Curtiss, Larry A.; Krishnan Raghavachari; Paul C. Redfern; Vitaly Rassolov; John A. Pople (November 1998). Gaussian-3 (G3) theory for molecules containing ﬁrst and second-row atoms. The Journal of Chemical Physics. AIP. 109 (18): 7764—7776. doi:10.1063/1.477422.
Mayhall, Nicholas J.; Raghavachari, Krishnan; Redfern, Paul C.; Curtiss, Larry A. (30 квітня 2009). Investigation of Gaussian4 Theory for Transition Metal Thermochemistry. The Journal of Physical Chemistry A (англ.). 113 (17): 5170—5175. doi:10.1021/jp809179q. ISSN 1089-5639. PMID 19341257.
Chan, Bun; Karton, Amir; Raghavachari, Krishnan (13 серпня 2019). G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon. Journal of Chemical Theory and Computation (англ.). 15 (8): 4478—4484. doi:10.1021/acs.jctc.9b00449. ISSN 1549-9618. PMID 31287695.
Deyonker, Nathan J.; Cundari, Thomas R.; Wilson, Angela K. (2006). The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods. J. Chem. Phys. 124 (11): 114104. Bibcode:2006JChPh.124k4104D. doi:10.1063/1.2173988. PMID 16555871. Архів оригіналу за 25 Червня 2021. Процитовано 26 Червня 2021.
Nyden, Mark R.; Petersson, G.A. (1981). Complete basis set correlation energies. I. The asymptotic convergence of pair natural orbital expansions. J. Chem. Phys. 75 (4): 1843—1862. doi:10.1063/1.442208.
Ochterski, Joseph W.; Petersson, G.A.; Montgomery, J.A. (1996). A complete basis set model chemistry. V. Extensions to six or more heavy atoms. J. Chem. Phys. 104 (7): 2598—2619. doi:10.1063/1.470985.
Petersson, G. (2002). Complete Basis Set Models for Chemical Reactivity: from the Helium Atom to Enzyme Kinetics. У Cioslowski, J. (ред.). Quantum-Mechanical Prediction of Thermochemical Data. Understanding Chemical Reactivity. Т. 22. Springer Netherlands. с. 99—130. doi:10.1007/0-306-47632-0_4. ISBN 0-7923-7077-5.
David A Dixon, David Feller and Kirk A Peterson (2012). A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table. Annual Reports in Computational Chemistry Volume 8. Annual Reports in Computational Chemistry. Т. 8. с. 1—28. doi:10.1016/B978-0-444-59440-2.00001-6. ISBN 9780444594402.
David Feller, Kirk A Peterson and David A Dixon (2012). Further benchmarks of a composite, convergent, statistically calibrated coupled-cluster-based approach for thermochemical and spectroscopic studies. Molecular Physics. 110 (19–20): 2381—2399. Bibcode:2012MolPh.110.2381F. doi:10.1080/00268976.2012.684897.
David Feller, Kirk A Peterson and Branko Ruscic (2014). Improved accuracy benchmarks of small molecules using correlation consistent basis sets. Theoretical Chemistry Accounts. 133: 1407—16. doi:10.1007/s00214-013-1407-z.
J. M. L. Martin; G. de Oliveira (1999). Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory. Journal of Chemical Physics. 111 (5): 1843—1856. arXiv:physics/9904038. Bibcode:1999JChPh.111.1843M. doi:10.1063/1.479454.
A. D. Boese; M. Oren; O. Atasoylu; J. M. L. Martin; M. Kállay; J. Gauss (2004). W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range. Journal of Chemical Physics. 120 (9): 4129—4141. arXiv:physics/0311067. Bibcode:2004JChPh.120.4129B. doi:10.1063/1.1638736. PMID 15268579.
A. Karton; E. Rabinovich; J. M. L. Martin; B. Ruscic (2006). W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. Journal of Chemical Physics. 125 (14): 144108. arXiv:physics/0608123. Bibcode:2006JChPh.125n4108K. doi:10.1063/1.2348881. PMID 17042580.
A. Karton; J. M. L. Martin (2010). Performance of W4 theory for spectroscopic constants and electrical properties of small molecules. Journal of Chemical Physics. 133 (14): 144102. arXiv:1008.4163. Bibcode:2010JChPh.133n4102K. doi:10.1063/1.3489113. PMID 20949982.
A. Karton; J. M. L. Martin (2012). Explicitly correlated Wn theory: W1–F12 and W2–F12. Journal of Chemical Physics. 136 (12): 124114. Bibcode:2012JChPh.136l4114K. doi:10.1063/1.3697678. PMID 22462842.

harvard.edu

ui.adsabs.harvard.edu

Ohlinger, William S.; Philip E. Klunzinger; Bernard J. Deppmeier; Warren J. Hehre (January 2009). Efficient Calculation of Heats of Formation. The Journal of Physical Chemistry A. ACS Publications. 113 (10): 2165—2175. Bibcode:2009JPCA..113.2165O. doi:10.1021/jp810144q. PMID 19222177.
Deyonker, Nathan J.; Cundari, Thomas R.; Wilson, Angela K. (2006). The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods. J. Chem. Phys. 124 (11): 114104. Bibcode:2006JChPh.124k4104D. doi:10.1063/1.2173988. PMID 16555871. Архів оригіналу за 25 Червня 2021. Процитовано 26 Червня 2021.
David Feller, Kirk A Peterson and David A Dixon (2012). Further benchmarks of a composite, convergent, statistically calibrated coupled-cluster-based approach for thermochemical and spectroscopic studies. Molecular Physics. 110 (19–20): 2381—2399. Bibcode:2012MolPh.110.2381F. doi:10.1080/00268976.2012.684897.
J. M. L. Martin; G. de Oliveira (1999). Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory. Journal of Chemical Physics. 111 (5): 1843—1856. arXiv:physics/9904038. Bibcode:1999JChPh.111.1843M. doi:10.1063/1.479454.
A. D. Boese; M. Oren; O. Atasoylu; J. M. L. Martin; M. Kállay; J. Gauss (2004). W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range. Journal of Chemical Physics. 120 (9): 4129—4141. arXiv:physics/0311067. Bibcode:2004JChPh.120.4129B. doi:10.1063/1.1638736. PMID 15268579.
A. Karton; E. Rabinovich; J. M. L. Martin; B. Ruscic (2006). W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. Journal of Chemical Physics. 125 (14): 144108. arXiv:physics/0608123. Bibcode:2006JChPh.125n4108K. doi:10.1063/1.2348881. PMID 17042580.
A. Karton; J. M. L. Martin (2010). Performance of W4 theory for spectroscopic constants and electrical properties of small molecules. Journal of Chemical Physics. 133 (14): 144102. arXiv:1008.4163. Bibcode:2010JChPh.133n4102K. doi:10.1063/1.3489113. PMID 20949982.
A. Karton; J. M. L. Martin (2012). Explicitly correlated Wn theory: W1–F12 and W2–F12. Journal of Chemical Physics. 136 (12): 124114. Bibcode:2012JChPh.136l4114K. doi:10.1063/1.3697678. PMID 22462842.

nih.gov

pubmed.ncbi.nlm.nih.gov

Ohlinger, William S.; Philip E. Klunzinger; Bernard J. Deppmeier; Warren J. Hehre (January 2009). Efficient Calculation of Heats of Formation. The Journal of Physical Chemistry A. ACS Publications. 113 (10): 2165—2175. Bibcode:2009JPCA..113.2165O. doi:10.1021/jp810144q. PMID 19222177.
Mayhall, Nicholas J.; Raghavachari, Krishnan; Redfern, Paul C.; Curtiss, Larry A. (30 квітня 2009). Investigation of Gaussian4 Theory for Transition Metal Thermochemistry. The Journal of Physical Chemistry A (англ.). 113 (17): 5170—5175. doi:10.1021/jp809179q. ISSN 1089-5639. PMID 19341257.
Chan, Bun; Karton, Amir; Raghavachari, Krishnan (13 серпня 2019). G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon. Journal of Chemical Theory and Computation (англ.). 15 (8): 4478—4484. doi:10.1021/acs.jctc.9b00449. ISSN 1549-9618. PMID 31287695.
Deyonker, Nathan J.; Cundari, Thomas R.; Wilson, Angela K. (2006). The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods. J. Chem. Phys. 124 (11): 114104. Bibcode:2006JChPh.124k4104D. doi:10.1063/1.2173988. PMID 16555871. Архів оригіналу за 25 Червня 2021. Процитовано 26 Червня 2021.
A. D. Boese; M. Oren; O. Atasoylu; J. M. L. Martin; M. Kállay; J. Gauss (2004). W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range. Journal of Chemical Physics. 120 (9): 4129—4141. arXiv:physics/0311067. Bibcode:2004JChPh.120.4129B. doi:10.1063/1.1638736. PMID 15268579.
A. Karton; E. Rabinovich; J. M. L. Martin; B. Ruscic (2006). W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions. Journal of Chemical Physics. 125 (14): 144108. arXiv:physics/0608123. Bibcode:2006JChPh.125n4108K. doi:10.1063/1.2348881. PMID 17042580.
A. Karton; J. M. L. Martin (2010). Performance of W4 theory for spectroscopic constants and electrical properties of small molecules. Journal of Chemical Physics. 133 (14): 144102. arXiv:1008.4163. Bibcode:2010JChPh.133n4102K. doi:10.1063/1.3489113. PMID 20949982.
A. Karton; J. M. L. Martin (2012). Explicitly correlated Wn theory: W1–F12 and W2–F12. Journal of Chemical Physics. 136 (12): 124114. Bibcode:2012JChPh.136l4114K. doi:10.1063/1.3697678. PMID 22462842.

unt.edu

digital.library.unt.edu

Deyonker, Nathan J.; Cundari, Thomas R.; Wilson, Angela K. (2006). The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods. J. Chem. Phys. 124 (11): 114104. Bibcode:2006JChPh.124k4104D. doi:10.1063/1.2173988. PMID 16555871. Архів оригіналу за 25 Червня 2021. Процитовано 26 Червня 2021.

uwa.edu.au

api.research-repository.uwa.edu.au

A. Karton (2016). A computational chemist's guide to accurate thermochemistry for organic molecules (PDF). Wiley Interdisciplinary Reviews: Computational Molecular Science. 6 (3): 292—310. doi:10.1002/wcms.1249. Архів оригіналу (PDF) за 26 Червня 2021. Процитовано 26 Червня 2021.

research-repository.uwa.edu.au

A. Karton; J. M. L. Martin (2012). Explicitly correlated Wn theory: W1–F12 and W2–F12. Journal of Chemical Physics. 136 (12): 124114. Bibcode:2012JChPh.136l4114K. doi:10.1063/1.3697678. PMID 22462842.

web.archive.org

A. Karton (2016). A computational chemist's guide to accurate thermochemistry for organic molecules (PDF). Wiley Interdisciplinary Reviews: Computational Molecular Science. 6 (3): 292—310. doi:10.1002/wcms.1249. Архів оригіналу (PDF) за 26 Червня 2021. Процитовано 26 Червня 2021.
Deyonker, Nathan J.; Cundari, Thomas R.; Wilson, Angela K. (2006). The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods. J. Chem. Phys. 124 (11): 114104. Bibcode:2006JChPh.124k4104D. doi:10.1063/1.2173988. PMID 16555871. Архів оригіналу за 25 Червня 2021. Процитовано 26 Червня 2021.

worldcat.org

search.worldcat.org

Mayhall, Nicholas J.; Raghavachari, Krishnan; Redfern, Paul C.; Curtiss, Larry A. (30 квітня 2009). Investigation of Gaussian4 Theory for Transition Metal Thermochemistry. The Journal of Physical Chemistry A (англ.). 113 (17): 5170—5175. doi:10.1021/jp809179q. ISSN 1089-5639. PMID 19341257.
Chan, Bun; Karton, Amir; Raghavachari, Krishnan (13 серпня 2019). G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon. Journal of Chemical Theory and Computation (англ.). 15 (8): 4478—4484. doi:10.1021/acs.jctc.9b00449. ISSN 1549-9618. PMID 31287695.