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1. Cooper, DL
   Spin-coupled description of the chemical bonding to hypercoordinate chlorine
   THEORETICAL CHEMISTRY ACCOUNTS
   
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2. Goumri-Said, S; Aourag, H; de Fornel, F; Salomon, L
   Quantum Monte Carlo study of the alternating extended Peierls-Hubbard model applied to the trans-polyacetylene
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   Possible reaction paths in the LiH2+ chemistry: a computational analysis of the interaction forces
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4. Song, LC; Wu, W; Cao, ZX; Zhang, QE
   Configuration interaction in valence bond theory
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5. Specchio, R; Famulari, A; Raimondi, M
   Ab initio study of helium dimer
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6. Leao, MBC; Pavao, AC
   An electron transfer mechanism for the dimethylnitrosamine carcinogenic action
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7. Schindler, M; Hawthorne, FC
   A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. I. Theory
   CANADIAN MINERALOGIST
   
   M. Schindler e F.C. Hawthorne, "A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. I. Theory", CAN MINERAL, 39, 2001, pp. 1225-1242
8. Schindler, M; Hawthorne, FC
   A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. II. Crystal structure and chemical composition of borate minerals
   CANADIAN MINERALOGIST
   
   M. Schindler e F.C. Hawthorne, "A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. II. Crystal structure and chemical composition of borate minerals", CAN MINERAL, 39, 2001, pp. 1243-1256
9. Frenking, G
   Perspective on "Quantentheoretische beitrage zum benzolproblem. I. Die elektronenkonfiguration des benzols und verwandter beziehungen" - Huckel E (1931) Z Phys 70 : 204-286
   THEORETICAL CHEMISTRY ACCOUNTS
   
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10. Galbraith, JM; Schreiner, PR; Harris, N; Wei, W; Wittkopp, A; Shaik, S
    A valence bond study of the Bergman cyclization: Geometric features, resonance energy, and nucleus-independent chemical shift (NICS) values
    CHEMISTRY-A EUROPEAN JOURNAL
    
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11. Mo, YR; Gao, JL
    Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: Application to an S(N)2 reaction in water
    JOURNAL OF COMPUTATIONAL CHEMISTRY
    
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12. Ghosh, H; Shukla, A; Mazumdar, S
    Electron-correlation-induced transverse delocalization and longitudinal confinement in excited states of phenyl-substituted polyacetylenes
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13. Ramasesha, S; Pati, SK; Shuai, Z; Bredas, JL
    The density matrix renormalization group method: Application to the low-lying electronic states in conjugated polymers
    ADVANCES IN QUANTUM CHEMISTRY, VOL 38
    
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14. Penotti, FE
    On the electronic structure of Li-2 (X (1) Sigma(+)(g)) and its change with internuclear distance
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15. Tkacz-Smiech, K; Kolezynski, A; Ptak, WS
    Chemical bond in ferroelectric perovskites
    FERROELECTRICS
    
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16. Nagao, H; Nishino, M; Shigeta, Y; Soda, T; Kitagawa, Y; Onishi, T; Yoshioka, Y; Yamaguchi, K
    Theoretical studies on effective spin interactions, spin alignments and macroscopic spin tunneling in polynuclear manganese and related complexes andtheir mesoscopic clusters
    COORDINATION CHEMISTRY REVIEWS
    
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17. Schindler, M; Hawthorne, FC; Baur, WH
    A crystal-chemical approach to the composition and occurrence of vanadium minerals
    CANADIAN MINERALOGIST
    
    M. Schindler et al., "A crystal-chemical approach to the composition and occurrence of vanadium minerals", CAN MINERAL, 38, 2000, pp. 1443-1456
18. Oliva, JM
    Transition states in modern valence-bond theory: application to the Cope rearrangement
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    J.M. Oliva, "Transition states in modern valence-bond theory: application to the Cope rearrangement", THEOR CH AC, 103(1), 1999, pp. 1-8
19. Zilberg, S; Haas, Y
    The singlet-state photophysics and photochemistry of polyenes: Applicationof the twin-state model and of the phase-change theorem
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    S. Zilberg e Y. Haas, "The singlet-state photophysics and photochemistry of polyenes: Applicationof the twin-state model and of the phase-change theorem", J PHYS CH A, 103(14), 1999, pp. 2364-2374
20. Brush, SG
    Dynamics of theory change in chemistry: Part 2. Benzene and molecular orbitals, 1945-1980
    STUDIES IN HISTORY AND PHILOSOPHY OF SCIENCE
    
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21. McWeeny, R
    An ab initio form of classical valence-bond theory
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22. McNicholas, SJ; Manby, FR
    State-selective core-optimized spin-coupled theory
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23. Wilson, S
    On the application of hierarchical orthogonality restrictions to spin-coupled wave functions
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
    S. Wilson, "On the application of hierarchical orthogonality restrictions to spin-coupled wave functions", INT J QUANT, 74(2), 1999, pp. 135-144
24. Sironi, M
    A new procedure to optimize core orbitals in the spin-coupled wave function
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
    M. Sironi, "A new procedure to optimize core orbitals in the spin-coupled wave function", INT J QUANT, 74(2), 1999, pp. 145-151
25. Ogliaro, F; Cooper, DL; Karadakov, PB
    Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
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26. Thorsteinsson, T; Famulari, A; Raimondi, M
    A spin-coupled investigation of the electrophilic addition of hydrochloricacid to ethylene
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
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27. Raos, G; Bielli, P; Tornaghi, E
    Rotational barriers of amides and polyisocyanates: A spin-coupled study
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
    G. Raos et al., "Rotational barriers of amides and polyisocyanates: A spin-coupled study", INT J QUANT, 74(2), 1999, pp. 249-258
28. Caneschi, A; De Biani, FF; Kloo, L; Zanello, P
    Magnetic and redox properties in hydroxo- and alkoxo-bridged Fe(III) binuclear complexes: A density functional study
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
    A. Caneschi et al., "Magnetic and redox properties in hydroxo- and alkoxo-bridged Fe(III) binuclear complexes: A density functional study", INT J QUANT, 72(1), 1999, pp. 61-71
29. Oliva, JM
    Bonding in benzene methylene isomers: Modern VB study using spin-coupled theory
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
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30. Zilberg, S; Haas, Y
    The electron-pair origin of antiaromaticity: Spectroscopic manifestations
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
    
    S. Zilberg e Y. Haas, "The electron-pair origin of antiaromaticity: Spectroscopic manifestations", INT J QUANT, 71(2), 1999, pp. 133-145
31. Harvey, PD; Reber, C
    Distortions in square-planar palladium(II) halides: a nonempirical molecular orbital model study
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
    
    P.D. Harvey e C. Reber, "Distortions in square-planar palladium(II) halides: a nonempirical molecular orbital model study", CAN J CHEM, 77(1), 1999, pp. 16-23
32. BACHLER V; METZLERNOLTE N
    THE PI-ELECTRON-ACCEPTING ABILITY OF THE BORON ATOM IN ETHYNYLBORANESAND RELATED-COMPOUNDS - AN APPROXIMATE WEIGHT COMPUTATION FOR RESONANCE STRUCTURES
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
    
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33. CLARKE NJ; RAIMONDI M; SIRONI M; GERRATT J; COOPER DL
    OPTIMIZATION OF VIRTUAL ORBITALS IN THE FRAMEWORK OF A MULTICONFIGURATION SPIN-COUPLED WAVE-FUNCTION
    Theoretical chemistry accounts
    
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34. Karadakov, PB; Cooper, DL; Gerratt, J
    Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne
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35. GAUTHRON I; MUGNIER Y; HIERSO K; HARVEY PD
    ELECTROREDUCTION OF PD-2(DPPM)(2)CL-2 AND PD(DPPM)CL-2 [DPPM = BIS(DIPHENYLPHOSPHINO)METHANE] IN APROTIC MEDIUM UNDER CARBON-DIOXIDE - ELECTROGENERATION OF PD-3(MU(3)-CO)(MU-DPPM)(3)
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36. LI J; NELSON MR; PENG CY; BASHFORD D; NOODLEMAN L
    INCORPORATING PROTEIN ENVIRONMENTS IN DENSITY-FUNCTIONAL THEORY - A SELF-CONSISTENT REACTION FIELD CALCULATION OF REDOX POTENTIALS OF [2FE2S] CLUSTERS IN FERREDOXIN AND PHTHALATE DIOXYGENASE REDUCTASE
    The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    
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37. Zilberg, S; Haas, Y
    Two-state model of antiaromaticity: The low lying singlet states
    JOURNAL OF PHYSICAL CHEMISTRY A
    
    S. Zilberg e Y. Haas, "Two-state model of antiaromaticity: The low lying singlet states", J PHYS CH A, 102(52), 1998, pp. 10843-10850
38. CLARKE NJ; COOPER DL
    POTENTIAL-ENERGY CURVES AND PARTIAL-DERIVATIVE PARTIAL-DERIVATIVE-R COUPLINGS FOR ELECTRON-CAPTURE IN LOW-ENERGY COLLISIONS OF SILICON IONSWITH HELIUM AND ATOMIC-HYDROGEN/
    Journal of the Chemical Society. Faraday transactions (Print)
    
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39. CLARKE NJ; SIRONI M; RAIMONDI M; KUMAR S; GIANTURCO FA; BUONOMO E; COOPER DL
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    Chemical physics
    
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40. KARWOWSKI J
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41. CHEN EH; CHANG TC
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42. ILLAS F; MARTIN RL
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43. THORSTEINSSON T; COOPER DL
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    International journal of quantum chemistry
    
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44. WU W; WU A; MO YR; LIN MH; ZHANG QN
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45. MCGRADY JE; STRANGER R; LOVELL T
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46. RAOS G; MCNICHOLAS SJ; GERRATT J; COOPER DL; KARADAKOV PB
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47. SALIKHOV A; FISCHER H
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48. MODL M; POVILL A; RUBIO J; ILLAS F
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49. CABALLOL R; CASTELL O; ILLAS F; MOREIRA PR; MALRIEU JP
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    The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    
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50. FORNI A; SIRONI M; RAIMONDI M; COOPER DL; GERRATT J
    THEORETICAL INVESTIGATION OF THIOPHENE OLIGOMERS - A SPIN-COUPLED STUDY
    The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory
    
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51. FLOCKE N; KARWOWSKI J
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52. OLIVA JM; GERRATT J; KARADAKOV PB; COOPER DL
    CONROTATORY AND DISROTATORY PATHWAYS IN THE ELECTROCYCLIC ISOMERIZATION OF CYCLOBUTENE TO CIS-BUTADIENE - THE SPIN-COUPLED VIEWPOINT
    The Journal of chemical physics
    
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53. CORY MG; STAVREV KK; ZERNER MC
    AN EXAMINATION OF THE ELECTRONIC-STRUCTURE AND SPECTROSCOPY OF HIGH-SPIN AND LOW-SPIN MODEL FERREDOXIN VIA SEVERAL SCF AND CI TECHNIQUES
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54. HARVEY PD; DROUIN M; ZHANG TL
    CRYSTALLOGRAPHIC, THEORETICAL, AND SPECTROSCOPIC STUDIES OF THE LUMINESCENT D(10)-D(10) BINUCLEAR COPPER-ACETATE COMPLEX CU-2(DPPM)(2)(O2CCH3)(+)
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55. HAWTHORNE FC
    SHORT-RANGE ORDER IN AMPHIBOLES - A BOND-VALENCE APPROACH
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56. GAUTHRON I; MUGNIER Y; HIERSO K; HARVEY PD
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57. KURAMOCHI H; NOODLEMAN L; CASE DA
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58. LEPAPE L; LAMOTTE B; MOUESCA JM; RIUS G
    PARAMAGNETIC STATES OF 4-IRON 4-SULFUR CLUSTERS .1. EPR SINGLE-CRYSTAL STUDY OF 3-CLUSTER AND 1+-CLUSTER OF AN ASYMMETRICAL MODEL-COMPOUND AND GENERAL-MODEL FOR THE INTERPRETATION OF THE G-TENSORS OF THESE 2 REDOX STATES()
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59. FORTIN D; DROUIN M; TURCOTTE M; HARVEY PD
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60. WU W; WU AA; MO YR; ZHANG QN
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61. MCWEENY R
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62. MO YR; WU W; ZHANG QE
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63. MO YR; LIN ZY; WU W; ZHANG QN
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64. BUKOWSKI R; JEZIORSKI B; SZALEWICZ K
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65. RAIMONDI M; SIRONI M; GERRATT J; COOPER DL
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66. HARVEY PD; HIERSO K; BRAUNSTEIN P; MORISE X
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67. PROVENCHER R; HARVEY PD
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68. CASTELL O; CABALLOL R; GARCIA VM; HANDRICK K
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69. LOVELL T; MCGRADY JE; STRANGER R; MACGREGOR SA
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70. HARVEY PD; PROVENCHER R; GAGNON J; ZHANG TL; FORTIN D; HIERSO K; DROUIN M; SOCOL SM
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71. MO YR; ZHANG QN
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72. WU W; MO YR; ZHANG QE
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73. AMOVILLI C; BLAZEJ M; MARCH NH
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74. FLORIANO WB; BLASZKOWSKI SR; NASCIMENTO MAC
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75. KARADAKOV PB; GERRATT J; COOPER DL; RAIMONDI M
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76. CASTELL O; CABALLOL R; SUBRA R; GRAND A
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77. MO YR; ZHANG QE
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78. KADOLKAR C; SARMA CR; RETTRUP S
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79. MOUESCA JM; NOODLEMAN L; CASE DA; LAMOTTE B
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80. NOODLEMAN L; PENG CY; CASE DA; MOUESCA JM
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81. KOMASA J; RYCHLEWSKI J; RAYNES WT
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82. KARADAKOV PB; GERRATT J; COOPER DL; RAIMONDI M
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83. AHSAN MAH; KADOLKAR CY; SARMA CR
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84. CASTELL O; MIRALLES J; CABALLOL R
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85. AHSAN MAH; SARMA CR
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86. ROSSI G
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87. ZHOU TJ; LIU AM
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88. SCHMIDTKE HH; ROSELLEN U; DIEHL M
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89. MO YR; WU W; ZHANG QN
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90. HANDRICK K; MALRIEU JP; CASTELL O
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91. HYAMS PA; GERRATT J; COOPER DL; RAIMONDI M
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92. HARVEY PD; HUBIG SM; ZIEGLER T
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93. RYCHLEWSKI J; CENCEK W; KOMASA J
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94. MOUESCA JM; CHEN JL; NOODLEMAN L; BASHFORD D; CASE DA
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95. XIE YQ; ZHANG XD; ZHAO LY; MA XL
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96. KLEIN DJ; ZIVKOVIC TP
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98. BELINSKII M
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100. COOPER DL; GERRATT J; RAIMONDI M; SIRONI M; THORSTEINSSON T
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