SCOPUS 정보 검색 플랫폼

Journal of Computational Chemistry

Volumn 34, Issue 15, 2013, Pages 1321-1331

Pseudosymmetry analysis of molecular orbitals

(5) Casanova, David a Alemany, Pere a Falceto, Andrés a Carreras, Abel a Alvarez, Santiago a

a UNIVERSITY OF BARCELONA (Spain)

Author keywords

continuous symmetry measures; irreducible representations; molecular orbitals; pseudosymmetry; symmetry

Indexed keywords

APPROXIMATE SYMMETRY; CONTINUOUS SYMMETRY; HIGH SPIN STATE; IRREDUCIBLE REPRESENTATIONS; MATHEMATICAL EXPRESSIONS; MOLECULAR PSEUDOSYMMETRY; PSEUDOSYMMETRY; QUASISYMMETRY;

CRYSTAL SYMMETRY; POLYCYCLIC AROMATIC HYDROCARBONS;

MOLECULAR ORBITALS;

ALGORITHM; ARTICLE; QUANTUM THEORY;

ALGORITHMS; QUANTUM THEORY;

EID: 84876909585 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23257 Document Type: Article

Times cited : (7)

References (33)

1
- 0003947806
- John Wiley & Sons Inc
- T. A. Albright, J. K. Burdett, M.- H. Whangbo, Orbital Interactions in Chemistry; John Wiley & Sons Inc., 1985.
- (1985) Orbital Interactions in Chemistry
- Albright, T.A.¹ Burdett, J.K.² Whangbo, M.-H.³

2
- 0003607419
- Wiley-VCH
- R. Hoffmann, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures; Wiley-VCH, 1989.
- (1989) Solids and Surfaces: A Chemist's View of Bonding in Extended Structures
- Hoffmann, R.¹

3
- 84875142032
- Oxford University Press
- E. Canadell, M.- L. Doublet, C. Lung, Orbital Approach to the Electronic Structure of Solids; Oxford University Press, 2012.
- (2012) Orbital Approach to the Electronic Structure of Solids
- Canadell, E.¹ Doublet, M.-L.² Lung, C.³

4
- 0003620473
- Academic Press Inc
- W. L. Jørgensen, L. Salem, Organic Chemist's Book of Orbitals; Academic Press Inc., 1973.
- (1973) Organic Chemist's Book of Orbitals
- Jørgensen, W.L.¹ Salem, L.²

5
- 17144376181
- W. H. Freeman: New York
- P. W. Atkins, L. Jones, Chemical Principles; W. H. Freeman: New York, 2009.
- (2009) Chemical Principles
- Atkins, P.W.¹ Jones, L.²

6
- 0004189098
- Pergamon Press: Oxford
- V. Heine, Group Theory in Quantum Mechanics: An Introduction to its Present Usage; Pergamon Press: Oxford, 1977.
- (1977) Group Theory in Quantum Mechanics: An Introduction to Its Present Usage
- Heine, V.¹

7
- 0004181670
- Springer: Berlin
- B. L. van der Waerden, Group Theory and Quantum Mechanics; Springer: Berlin, 1974.
- (1974) Group Theory and Quantum Mechanics
- Van Der Waerden, B.L.¹

8
- 0004159929
- Dover: New York
- H. Weyl, The Theory of Groups and Quantum Mechanics; Dover: New York, 1950.
- (1950) The Theory of Groups and Quantum Mechanics
- Weyl, H.¹

9
- 0003921465
- Academic Press: New York
- E. P. Wigner, Group Theory and its Application to the Quantum Mechanics of Atomic Spectra; Academic Press: New York, 1959.
- (1959) Group Theory and Its Application to the Quantum Mechanics of Atomic Spectra
- Wigner, E.P.¹

10
- 77956435866
- E. Cremades, J. Echeverría, S. Alvarez, Chem. Eur. J. 2010, 16, 10380.
- (2010) Chem. Eur. J. , vol.16 , pp. 10380
- Cremades, E.¹ Echeverría, J.² Alvarez, S.³

11
- 0347719285
- J. Cirera, P. Alemany, S. Alvarez, Chem. Eur. J. 2004, 10, 190.
- (2004) Chem. Eur. J. , vol.10 , pp. 190
- Cirera, J.¹ Alemany, P.² Alvarez, S.³

12
- 33645659163
- J. Cirera, E. Ruiz, S. Alvarez, Chem. Eur. J. 2006, 12, 3162.
- (2006) Chem. Eur. J. , vol.12 , pp. 3162
- Cirera, J.¹ Ruiz, E.² Alvarez, S.³

13
- 0000504936
- H. Zabrodsky, S. Peleg, D. Avnir, J. Am. Chem. Soc. 1992, 114, 7843.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 7843
- Zabrodsky, H.¹ Peleg, S.² Avnir, D.³

14
- 0036343448
- S. Alvarez, D. Avnir, M. Llunell, M. Pinsky, New J. Chem. 2002, 26, 996.
- (2002) New J. Chem. , vol.26 , pp. 996
- Alvarez, S.¹ Avnir, D.² Llunell, M.³ Pinsky, M.⁴

15
- 0001248380
- S. Alvarez, M. Llunell, J. Chem. Soc. Dalton Trans. 2000, 3288.
- (2000) J. Chem. Soc. Dalton Trans. , pp. 3288
- Alvarez, S.¹ Llunell, M.²

16
- 33746215066
- D. Casanova, P. Alemany, S. Alvarez, Angew. Chem. Int. Ed. 2006, 45, 1457.
- (2006) Angew. Chem. Int. Ed. , vol.45 , pp. 1457
- Casanova, D.¹ Alemany, P.² Alvarez, S.³

17
- 0242500378
- D. Casanova, J. M. Bofill, P. Alemany, S. Alvarez, Chem. Eur. J. 2003, 9, 1281.
- (2003) Chem. Eur. J. , vol.9 , pp. 1281
- Casanova, D.¹ Bofill, J.M.² Alemany, P.³ Alvarez, S.⁴

18
- 14844311256
- D. Casanova, M. Llunell, P. Alemany, S. Alvarez, Chem. Eur. J. 2004, 11, 1479.
- (2004) Chem. Eur. J. , vol.11 , pp. 1479
- Casanova, D.¹ Llunell, M.² Alemany, P.³ Alvarez, S.⁴

19
- 45149121101
- J. Echeverría, D. Casanova, M. Llunell, P. Alemany, S. Alvarez, Chem. Commun. 2008, 2717.
- (2008) Chem. Commun. , pp. 2717
- Echeverría, J.¹ Casanova, D.² Llunell, M.³ Alemany, P.⁴ Alvarez, S.⁵

20
- 43049106867
- A. Ruiz-Martínez, D. Casanova, S. Alvarez, Dalton Trans. 2008, 2583.
- (2008) Dalton Trans. , pp. 2583
- Ruiz-Martínez, A.¹ Casanova, D.² Alvarez, S.³

21
- 38849162306
- A. Ruiz-Martínez, D. Casanova, S. Alvarez, Chem. Eur. J. 2008, 14, 1291.
- (2008) Chem. Eur. J. , vol.14 , pp. 1291
- Ruiz-Martínez, A.¹ Casanova, D.² Alvarez, S.³

22
- 33746583598
- K. M. Ok, P. S. Halasyamani, D. Casanova, M. Llunell, P. Alemany, S. Alvarez, Chem. Mater. 2006, 18, 3176.
- (2006) Chem. Mater. , vol.18 , pp. 3176
- Ok, K.M.¹ Halasyamani, P.S.² Casanova, D.³ Llunell, M.⁴ Alemany, P.⁵ Alvarez, S.⁶

23
- 57949095896
- J. Echeverría, S. Alvarez, Inorg. Chem. 2008, 47, 10965.
- (2008) Inorg. Chem. , vol.47 , pp. 10965
- Echeverría, J.¹ Alvarez, S.²

24
- 70350515447
- C. Dryzun, D. Avnir, Phys. Chem. Chem. Phys. 2009, 11, 9653.
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 9653
- Dryzun, C.¹ Avnir, D.²

25
- 77957679001
- D. Casanova, P. Alemany, S. Alvarez, J. Comput. Chem. 2010, 31, 2389.
- (2010) J. Comput. Chem. , vol.31 , pp. 2389
- Casanova, D.¹ Alemany, P.² Alvarez, S.³

26
- 78649586396
- D. Casanova, P. Alemany, Phys. Chem. Chem. Phys. 2010, 12, 15523.
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 15523
- Casanova, D.¹ Alemany, P.²

27
- 84864702739
- P. Alemany, D. Casanova, S. Alvarez, Phys. Chem. Chem. Phys. 2012, 14, 11816.
- (2012) Phys. Chem. Chem. Phys. , vol.14 , pp. 11816
- Alemany, P.¹ Casanova, D.² Alvarez, S.³

28
- 57049182464
- M. Pinsky, C. Dryzun, D. Casanova, P. Alemany, D. Avnir, J. Comput. Chem. 2008, 29, 2712.
- (2008) J. Comput. Chem. , vol.29 , pp. 2712
- Pinsky, M.¹ Dryzun, C.² Casanova, D.³ Alemany, P.⁴ Avnir, D.⁵

29
- 0003517909
- Oxford University Press: Oxford
- S. L. Altmann, P. Herzig, Point-Group Theory Tables; Oxford University Press: Oxford, 1994.
- (1994) Point-Group Theory Tables
- Altmann, S.L.¹ Herzig, P.²

30
- 84953657117
- Addison-Wesley
- M. Hamermesh, Group Theory and its Application to Physical Problems; Addison-Wesley, 1962.
- (1962) Group Theory and Its Application to Physical Problems
- Hamermesh, M.¹

31
- 0028399562
- M. L. Ellzey, J. Chem. Inf. Comput. Sci. 1994, 34, 259.
- (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 259
- Ellzey, M.L.¹

32
- 33746563448
- Y. Shao, L. F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S. T. Brown, A. T. B. Gilbert, L. V. Slipchenko, S. V. Levchenko, D. P. O'Neill, R. A. DiStasio, Jr., R. C. Lochan, T. Wang, G. J. O. Beran, N. A. Besley, J. M. Herbert, C. Y. Lin, T. V. Voorhis, S. H. Chien, A. Sodt, R. P. Steele, V. A. Rassolov, P. E. Maslen, P. P. Korambath, R. D. Adamson, B. Austin, J. Baker, E. F. C. Byrd, H. Dachsel, R. J. Doerksen, A. Dreuw, B. D. Dunietz, A. D. Dutoi, T. R. Furlani, S. R. Gwaltney, A. Heyden, S. Hirata, C.- P. Hsu, G. Kedziora, R. Z. Khalliulin, P. Klunzinger, A. M. Lee, M. S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E. I. Proynov, P. A. Pieniazek, Y. M. Rhee, J. Ritchie, E. Rosta, C. D. Sherrill, A. C. Simmonett, J. E. Subotnik, H. L. Woodcock, III, W. Zhang, A. T. Bell, A. K. Chakraborty, Phys. Chem. Chem. Phys. 2006, 8, 3172.
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 3172
- Shao, Y.¹ Molnar, L.F.² Jung, Y.³ Kussmann, J.⁴ Ochsenfeld, C.⁵ Brown, S.T.⁶ Gilbert, A.T.B.⁷ Slipchenko, L.V.⁸ Levchenko, S.V.⁹ O'Neill, D.P.¹⁰ Distasio, Jr.R.A.¹¹ Lochan, R.C.¹² Wang, T.¹³ Beran, G.J.O.¹⁴ Besley, N.A.¹⁵ Herbert, J.M.¹⁶ Lin, C.Y.¹⁷ Voorhis, T.V.¹⁸ Chien, S.H.¹⁹ Sodt, A.²⁰ more..

33
- 49749177439
- J. C. Bailar, Jr., J. Inorg. Nucl. Chem. 1958, 8, 165.
- (1958) J. Inorg. Nucl. Chem. , vol.8 , pp. 165
- Bailar, Jr.J.C.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.