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Results: 1-13 |
Results: 13
Spectroscopically determined molecular mechanics model for the intermolecular interactions in hydrogen-bonded formic acid dimer structures
Authors: Qian, WL Krimm, S
Citation: Wl. Qian et S. Krimm, Spectroscopically determined molecular mechanics model for the intermolecular interactions in hydrogen-bonded formic acid dimer structures, J PHYS CH A, 105(20), 2001, pp. 5046-5053
A new formalism for molecular dynamics in internal coordinates
Authors: Lee, SH Palmo, K Krimm, S
Citation: Sh. Lee et al., A new formalism for molecular dynamics in internal coordinates, CHEM PHYS, 265(1), 2001, pp. 63-85
A polarizable electrostatic model of the N-methylacetamide dimer
Authors: Mannfors, B Mirkin, NG Palmo, K Krimm, S
Citation: B. Mannfors et al., A polarizable electrostatic model of the N-methylacetamide dimer, J COMPUT CH, 22(16), 2001, pp. 1933-1943
The Casimir-Eckart condition and the transformation of dipole moment derivatives revisited
Authors: Lee, SH Palmo, K Krimm, S
Citation: Sh. Lee et al., The Casimir-Eckart condition and the transformation of dipole moment derivatives revisited, J MOL ST-TH, 546, 2001, pp. 217-230
A new method to calculate B-matrix elements for external rotations with application to the B-matrix internal coordinate molecular dynamics formalism
Authors: Lee, SH Palmo, K Krimm, S
Citation: Sh. Lee et al., A new method to calculate B-matrix elements for external rotations with application to the B-matrix internal coordinate molecular dynamics formalism, CHEM P LETT, 342(5-6), 2001, pp. 643-651
A new electrostatic model for molecular mechanics force fields
Authors: Mannfors, B Palmo, K Krimm, S
Citation: B. Mannfors et al., A new electrostatic model for molecular mechanics force fields, J MOL STRUC, 556(1-3), 2000, pp. 1-21
Ab initio analysis of the vibrational spectra of conformers of some branched alkanes
Authors: Mirkin, NG Krimm, S
Citation: Ng. Mirkin et S. Krimm, Ab initio analysis of the vibrational spectra of conformers of some branched alkanes, J MOL STRUC, 550, 2000, pp. 67-91
Spectroscopically determined force fields for macromolecules. Part 3. Alkene chains
Authors: Mannfors, B Sundius, T Palmo, K Pietila, LO Krimm, S
Citation: B. Mannfors et al., Spectroscopically determined force fields for macromolecules. Part 3. Alkene chains, J MOL STRUC, 521, 2000, pp. 49-75
C.V. Raman: A personal note
Authors: Krimm, S
Citation: S. Krimm, C.V. Raman: A personal note, SPR S MAT S, 42, 2000, pp. 446-447
New out-of-plane angle and bond angle internal coordinates and related potential energy functions for molecular mechanics and dynamics simulations
Authors: Lee, SH Palmo, K Krimm, S
Citation: Sh. Lee et al., New out-of-plane angle and bond angle internal coordinates and related potential energy functions for molecular mechanics and dynamics simulations, J COMPUT CH, 20(10), 1999, pp. 1067-1084
A spectroscopically effective molecular mechanics model for the intermolecular interactions of the hydrogen-bonded N-methylacetamide dimer
Authors: Qian, WL Mirkin, NG Krimm, S
Citation: Wl. Qian et al., A spectroscopically effective molecular mechanics model for the intermolecular interactions of the hydrogen-bonded N-methylacetamide dimer, CHEM P LETT, 315(1-2), 1999, pp. 125-129
A quantitative anharmonic analysis of the amide A band in alpha-helical poly(L-alanine)
Authors: Lee, SH Mirkin, NG Krimm, S
Citation: Sh. Lee et al., A quantitative anharmonic analysis of the amide A band in alpha-helical poly(L-alanine), BIOPOLYMERS, 49(3), 1999, pp. 195-207
Vibrational spectroscopy of polypeptides
Authors: Krimm, S
Citation: S. Krimm, Vibrational spectroscopy of polypeptides, MODERN POLYMER SPECTROSCOPY, 1999, pp. 239-285
Risultati: 1-13 |