Pure and Applied Chemistry

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• Iliaš Miroslav, Jensen Hans Jørgen Aa., Bast Radovan, Saue Trond: Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory. Molecular Physics 2013, 111, 1373. <http://dx.doi.org/10.1080/00268976.2013.798436>
• Kutzelnigg Werner: Solved and unsolved problems in relativistic quantum chemistry. Chemical Phys 2012, 395, 16. <http://dx.doi.org/10.1016/j.chemphys.2011.06.001>
• Helgaker Trygve, Coriani Sonia, Jørgensen Poul, Kristensen Kasper, Olsen Jeppe, Ruud Kenneth: Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations. Chemistry Review 2012, 112, 543. <http://dx.doi.org/10.1021/cr2002239>
• Saue Trond: Relativistic Hamiltonians for Chemistry: A Primer. chem phys chem 2011, 12, 3077. <http://dx.doi.org/10.1002/cphc.201100682>
• Kutzelnigg Werner, Liu Wenjian: Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation. J Chem Phys 2009, 131, 044129. <http://dx.doi.org/10.1063/1.3185400>
• Harris Frank E., Frolov Alexei M., Smith Vedene H.: Exponential variational expansion in relative coordinates for highly accurate bound state calculations in four-body systems. J Chem Phys 2003, 119, 8833. <http://dx.doi.org/10.1063/1.1613943>
• Kutzelnigg Werner: Diamagnetism in relativistic theory. Phys Rev A 2003, 67, 032109. <http://dx.doi.org/10.1103/PhysRevA.67.032109>
• Staemmler Volker, Fink Karin: An ab initio cluster study of the magnetic properties of the CoO(001) surface. Chemical Phys 2002, 278, 79. <http://dx.doi.org/10.1016/S0301-0104(02)00389-0>
• Jin Qinghua, Mei Changjiang, Smith Vedene H.: Comparison study of the electronic structure of high-TC superconductors. Int J Quantum Chem 1995, 56, 189. <http://dx.doi.org/10.1002/qua.560560819>
• Wang Jiahu, Smith Vedene H.: Statistical electron correlation — coefficients and — holes in molecules. Theor Chim Acta 1994, 88, 35. <http://dx.doi.org/10.1007/BF01113732>
• Schmider H, Esquivel R O, Sagar R P, Smith Jr V H: J Phys B At Mol Opt Phys 1993, 26, 2943. <http://dx.doi.org/10.1088/0953-4075/26/17/025>
• Wong A.T., Bacskay G.B., Hush N.S., Bogaard M.P.: Ab initio polarizability derivatives for methane: an application to Raman intensities of overtone and combination bands. Mole Phys 1991, 74, 1037. <http://dx.doi.org/10.1080/00268979100102791>
• Tripathi A., Smith Vedene, Kaijser Per, Diercksen Geerd: Ab initio calculations of one-electron-scattering properties of ethyne (acetylene) and ethylene molecules. Phys Rev A 1990, 41, 2468. <http://dx.doi.org/10.1103/PhysRevA.41.2468>
• Kaijser Per, Smith Vedene, Tripathi A., Diercksen Geerd: Ab initio calculations of one-electron-scattering properties of methane. Phys Rev A 1987, 35, 4074. <http://dx.doi.org/10.1103/PhysRevA.35.4074>
• Kanhere D., Farazdel Abbas, Smith Vedene: Positron annihilation from F centers of alkali halide crystals. Phys Rev B 1987, 35, 3131. <http://dx.doi.org/10.1103/PhysRevB.35.3131>
• Sharma B. S., Thakkar Ajit J.: What do kinetic-energy anisotropies tell us about chemical bonding? I. Diatomic hydrides. Int J Quantum Chem 1986, 29, 323. <http://dx.doi.org/10.1002/qua.560290306>
• Thakkar Ajit, Liu J., Stevens Walter: Compton profiles and other momentum-space properties of N_{2}. Phys Rev A 1986, 34, 4695. <http://dx.doi.org/10.1103/PhysRevA.34.4695>
• Bertran J., Lledos A., Simas Alfredo M., Smith Vedene H., Thakkar Ajit J., McWeeny R.: Water chain intervention in HNC ��� HCN tautomeric interconversion. Journal of Molecular Structure: THEOCHEM 1985, 123, 211. <http://dx.doi.org/10.1016/0166-1280(85)80166-4>
• Thakkar Ajit J., Koga Toshikatsu: Sum rules for atomic form factors and total x-ray scattering intensities. J Chem Phys 1985, 83, 747. <http://dx.doi.org/10.1063/1.449487>
• Simas Alfredo M., Smith Vedene H., Thakkar Ajit J.: Partial-wave analysis of the momentum densities of 14 electron diatomics. Int J Quantum Chem 1984, 26, 385. <http://dx.doi.org/10.1002/qua.560260836>
• Thakkar Ajit J., Simas Alfredo M., Smith Vedene H.: Partial wave analysis of the momentum density. J Chem Phys 1984, 81, 2953. <http://dx.doi.org/10.1063/1.448045>
• Tanner A. C., Thakkar Ajit J.: Discrete and continuum contributions to multipole polarizabilities and shielding factors of hydrogen. Int J Quantum Chem 1983, 24, 345. <http://dx.doi.org/10.1002/qua.560240403>
• Swanton David J., Bacskay George B., Hush Noel S.: An ab initio SCF calculation of the dipole-moment derivatives and infrared-absorption intensities of the water-dimer molecule. Chemical Phys 1983, 82, 303. <http://dx.doi.org/10.1016/0301-0104(83)85236-7>
• Thomas Gerald F., Meath William J.: Multi-photon vibrational resonances, with modulation effects, using HeXe, NeAr and NeXe as models. Mole Phys 1982, 46, 743. <http://dx.doi.org/10.1080/00268978200101561>