K. J. Jalkanen

Theoretical Study of Aqueous <i>N</i>-Acetyl-<scp>l</scp>-alanine <i>N</i>‘-Methylamide:  Structures and Raman, VCD, and ROA Spectra

Wen‐Ge Han, K. J. Jalkanen, Marcus Elstner et al. · The Journal of Physical Chemistry B · 1998 · 246 citations

Natural Sciences, Chemistry, Physics +17

Structure and Vibrational Spectra of the Zwitterion <scp>l</scp>-Alanine in the Presence of Explicit Water Molecules:  A Density Functional Analysis

Emad Tajkhorshid, K. J. Jalkanen, Sándor Suhai · The Journal of Physical Chemistry B · 1998 · 185 citations

Natural Sciences, Chemistry, Physics +17

Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds

Jon R. Maple, Ming‐Jing Hwang, K. J. Jalkanen et al. · Journal of Computational Chemistry · 1998 · 140 citations · Full text

Natural Sciences, Chemistry, Physics +17

Energetics and structure of glycine and alanine based model peptides: Approximate SCC-DFTB, AM1 and PM3 methods in comparison with DFT, HF and MP2 calculations

Marcus Elstner, K. J. Jalkanen, Michaela Knapp‐Mohammady et al. · Chemical Physics · 2001 · 138 citations

Natural Sciences, Biochemistry, Biophysics +11

N-Acetyl-L-alanine N′-methylamide: a density functional analysis of the vibrational absorption and vibrational circular dichroism spectra

K. J. Jalkanen, Sándor Suhai · Chemical Physics · 1996 · 126 citations

Natural Sciences, Chemistry, Physics +17