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Organic Phenolic Configurationally Locked Polyene Single Crystals for Electro-optic and Terahertz Wave Applications.
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- Advanced Functional Materials, 2008, v. 18, n. 20, p. 3242, doi. 10.1002/adfm.200800633
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Inside Front Cover: Organic Phenolic Configurationally Locked Polyene Single Crystals for Electro-optic and Terahertz Wave Applications (Adv. Funct. Mater. 20/2008).
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- Advanced Functional Materials, 2008, v. 18, n. 20, p. n/a, doi. 10.1002/adfm.200890081
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Basis set selections for relativistic self-consistent field calculations.
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- Journal of Computational Chemistry, 1989, v. 10, n. 1, p. 112, doi. 10.1002/jcc.540100112
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Highly Efficient Organic THz Generator Pumped at Near-Infrared: Quinolinium Single Crystals.
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- Advanced Functional Materials, 2012, v. 22, n. 1, p. 200, doi. 10.1002/adfm.201101458
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Factors Affecting the Branching Ratio of Photodissociation: Thiophenol Studied through Quantum Wavepacket Dynamics.
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- ChemPhysChem, 2015, v. 16, n. 7, p. 1529, doi. 10.1002/cphc.201500060
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Crystal structure of the biotin carboxylase domain of human acetyl-CoA carboxylase 2.
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- Proteins, 2008, v. 70, n. 1, p. 268, doi. 10.1002/prot.21611
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Conformational Isomerism for Eckol and its Skeleton: Theoretical Study.
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- Bulletin of the Korean Chemical Society, 2019, v. 40, n. 10, p. 935, doi. 10.1002/bkcs.11852
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Computational Study of Hydrogen Chemisorption on a Multi-Phenyl Organic Linker as a Model of Hydrogen Spillover on Metal-Organic Frameworks<sup>#</sup>.
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- Bulletin of the Korean Chemical Society, 2015, v. 36, n. 3, p. 777, doi. 10.1002/bkcs.10142
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Induction and control of supramolecular chirality by light in self-assembled helical nanostructures.
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- Nature Communications, 2015, v. 6, n. 4, p. 6959, doi. 10.1038/ncomms7959
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Kramers' unrestricted Hartree-Fock and second-order Møller-Plesset perturbation methods using relativistic effective core potentials with spin-orbit operators: Test calculations for HI and CH<sub>3</sub>I.
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- International Journal of Quantum Chemistry, 1998, v. 66, n. 1, p. 91, doi. 10.1002/(SICI)1097-461X(1998)66:1<91::AID-QUA7>3.0.CO;2-V
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Synthesis and Properties of Salen-Aluminum Complexes as a Novel Class of Color-Tunable Luminophores.
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- Chemistry - A European Journal, 2009, v. 15, n. 26, p. 6478, doi. 10.1002/chem.200900137
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- Article
Unusual Ferromagnetic Couplings in Single End-to-End Azide-Bridged Cobalt( II) and Nickel( II) Chain Systems.
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- Chemistry - A European Journal, 2001, v. 7, n. 19, p. 4243, doi. 10.1002/1521-3765(20011001)7:19<4243::AID-CHEM4243>3.0.CO;2-U
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Intramolecular Orbital Alignment Observed in the Photodissociation of [D1]ThiophenolThis research was supported by the Pure Basic Science Research Groups of Korea Research Foundation (KRF-2005-070-C00063), CNMM of KIMM (M102KN010010-05K1401-01010), and the Supercomputing Center of KISTI.
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- Angewandte Chemie, 2006, v. 118, n. 38, p. 6438, doi. 10.1002/ange.200601985
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A Dramatic Spin–Orbit Effect Observed in the Vibrational Frequencies of the Chloroiodomethane CationThis work was financially supported by CRI, the Korea Research Foundation (KRF-2004-041-C00161), the Ministry of Science and Technology, the Brain Korea 21 Projects awarded to Seoul National University and KAIST, the Ministry of Education, and CNMM of KIMM, Republic of Korea. M.L. thanks the Ministry of Education for a Brain Korea 21 fellowship.
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- Angewandte Chemie, 2005, v. 117, n. 19, p. 2989, doi. 10.1002/ange.200463090
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Electrooptics: New Acentric Core Structure for Organic Electrooptic Crystals Optimal for Efficient Optical‐to‐THz Conversion (Advanced Optical Materials 6/2015).
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- Advanced Optical Materials, 2015, v. 3, n. 6, p. 844, doi. 10.1002/adom.201570037
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New Acentric Core Structure for Organic Electrooptic Crystals Optimal for Efficient Optical‐to‐THz Conversion.
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- Advanced Optical Materials, 2015, v. 3, n. 6, p. 756, doi. 10.1002/adom.201400502
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High-power Broadband Organic THz Generator.
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- Scientific Reports, 2013, p. 1, doi. 10.1038/srep03200
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- Article
Intramolecular Orbital Alignment Observed in the Photodissociation of [D1]ThiophenolThis research was supported by the Pure Basic Science Research Groups of Korea Research Foundation (KRF-2005-070-C00063), CNMM of KIMM (M102KN010010-05K1401-01010), and the Supercomputing Center of KISTI.
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- Angewandte Chemie International Edition, 2006, v. 45, n. 38, p. 6290, doi. 10.1002/anie.200601985
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- Article
A Dramatic Spin–Orbit Effect Observed in the Vibrational Frequencies of the Chloroiodomethane CationThis work was financially supported by CRI, the Korea Research Foundation (KRF-2004-041-C00161), the Ministry of Science and Technology, the Brain Korea 21 Projects awarded to Seoul National University and KAIST, the Ministry of Education, and CNMM of KIMM, Republic of Korea. M.L. thanks the Ministry of Education for a Brain Korea 21 fellowship.
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- Angewandte Chemie International Edition, 2005, v. 44, n. 19, p. 2929, doi. 10.1002/anie.200463090
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- Article
Spin-orbit effects on structures of closed-shell polyatomic molecules containing heavy atoms calculated by two-component Hartree-Fock method.
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- Journal of Computational Chemistry, 1998, v. 19, n. 13, p. 1526, doi. 10.1002/(SICI)1096-987X(199810)19:13<1526::AID-JCC9>3.0.CO;2-S
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Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions.
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- Journal of Computational Chemistry, 1993, v. 14, n. 1, p. 30, doi. 10.1002/jcc.540140107
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Kramers' restricted hartree-fock method for polyatomic molecules using ab initio relativistic effective core potentials with spin-orbit operators.
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- Journal of Computational Chemistry, 1992, v. 13, n. 5, p. 595, doi. 10.1002/jcc.540130509
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Two component calculations of Pt<sub>2</sub> with relativistic effective core potential including spin-orbit operator.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 9, p. 1975, doi. 10.1002/qua.22032
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Density functional and ab initio studies on structures and energies of the ground state of CrCO.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 2, p. 458, doi. 10.1002/qua.21099
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Two-component calculations of spin-orbit effects for a van der Waals molecule Rn.
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- International Journal of Quantum Chemistry, 1999, v. 72, n. 2, p. 139, doi. 10.1002/(SICI)1097-461X(1999)72:2<139::AID-QUA6>3.0.CO;2-T
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- Article
Control of Intramolecular Orbital Alignment in the Photodissociation of Thiophenol: Conformational Manipulation by Chemical Substitution.
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- Angewandte Chemie International Edition, 2008, v. 47, n. 10, p. 1853, doi. 10.1002/anie.200705358
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Inside Cover: Control of Intramolecular Orbital Alignment in the Photodissociation of Thiophenol: Conformational Manipulation by Chemical Substitution (Angew. Chem. Int. Ed. 10/2008).
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- Angewandte Chemie International Edition, 2008, v. 47, n. 10, p. 1790, doi. 10.1002/anie.200890036
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Prediction of the reduction potential of tris(2,2′-bipyridinyl)iron(III/II) derivatives.
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- Journal of Computational Chemistry, 2015, v. 36, n. 1, p. 33, doi. 10.1002/jcc.23766
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A protocol to evaluate one electron redox potential for iron complexes.
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- Journal of Computational Chemistry, 2013, v. 34, n. 26, p. 2233, doi. 10.1002/jcc.23380
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Electronic and chelation effects on the unusual C2-methylation of N-( para-substituted)phenylaziridines with lithium organocuprates.
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- Journal of Computational Chemistry, 2011, v. 32, n. 9, p. 1859, doi. 10.1002/jcc.21768
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