Works matching IS 01928651 AND DT 1997 AND VI 18 AND IP 10
Results: 8
Algorithms for exact counting of energy levels of spectroscopic transitions at different temperatures.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1312, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1312::AID-JCC5>3.0.CO;2-Q
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SONHICA (Simple optimized non-HIerarchical Cluster Analysis): A new tool for analysis of molecular conformations.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1295, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1295::AID-JCC4>3.0.CO;2-I
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Modern Electronic Structure Theory.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1328, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1328::AID-JCC8>3.0.CO;2-P
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Diabatic ordering of vibrational normal modes in reaction valley studies.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1282, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1282::AID-JCC3>3.0.CO;2-J
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Reviews in Computational Chemistry, Volume 7.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1327, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1327::AID-JCC7>3.0.CO;2-P
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HUNTER: A conformational search program for acyclic to polycyclic molecules with special emphasis on stereochemistry.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1264, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1264::AID-JCC2>3.0.CO;2-L
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Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1320, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1320::AID-JCC6>3.0.CO;2-P
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Ab initio calculation of dynamic polarizability and dielectric constant of carbon and silicon cubic crystals.
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- Journal of Computational Chemistry, 1997, v. 18, n. 10, p. 1253, doi. 10.1002/(SICI)1096-987X(19970730)18:10<1253::AID-JCC1>3.0.CO;2-M
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