ResearcherID.com
ResearcherID Thomson Reuters  

Jalkanen, Karl James
Create a ResearcherID badge for this researcher View publications analytics for this researcher
Close
ResearcherID: A-2456-2008
Other Names: Karl J. Jalkanen; K. Jalkanen; K.J. Jalkanen; Karl Jalkanen
URL: http://www.researcherid.com/rid/A-2456-2008
Subject: Biochemistry & Molecular Biology; Biophysics; Biotechnology & Applied Microbiology; Chemistry; Mathematics; Pharmacology & Pharmacy; Spectroscopy
Keywords: vibrational circular dichroism; vibrational spectroscopy; conformational analysis; chiral spectroscopy; nanotechnology; quantum nanobiology; raman optical activity; raman spectroscopy; molecular spectroscopy; quantum chemistry; infrared imaging of colon and rectral cancer; collagen
My Institutions (more details)
Primary Institution:
Sub-org/Dept: Development and Technical Services (DTS)
Role:
Joint Affiliation:
Sub-org/Dept: DTU Nanotech; Department of Micro- and Nanotechnolgy
Role:
Past Institutions: Curtin University of Technology; Deutsches Krebsforschungszentrum; Universidade do Vale do Paraíba - UNIVAP; Los Angeles Harbor College, LAHC; Biosym Technologies, Inc. (now Acelrys, Inc.); University of Illinois at Champaign-Urbana, UIUC; Calvin College; Deutsches Krebsforschungszentrum; Helsinki University of Technology, TKK; Technical University of Denmark, DTU
Description:
My URLs: http://lattes.cnpq.br/3713117552801226
http://br.linkedin.com/pub/karl-james-jalkanen/3/8a8/26
http://scholar.google.com/citations?hl=en&user=n7ZMSfUAAAAJ
 
 

This list contains papers that I have authored.

publication(s)  
First Page Previous Page Page   of  9  Go Next Page Last Page
  Sort by:    Results per page: 
1. Title: Theoretical study of aqueous N-acetyl-L-alanine N '-methylamide: Structures and Raman, VCD, and ROA spectra
Author(s): HAN, WG; JALKANEN, KJ; ELSTNER, M; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 102 Issue: 14 Pages: 2587-2602 Published: APR 2 1998
Times Cited: 217
DOI: 10.1021/jp972299m
added
17-Apr-09
2. Title: Structure and vibrational spectra of the zwitterion L-alanine in the presence of explicit water molecules: A density functional analysis
Author(s): TAJKHORSHID, E; JALKANEN, KJ; SUHAI, S
Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 102 Issue: 30 Pages: 5899-5913 Published: JUL 23 1998
Times Cited: 143
DOI: 10.1021/jp9803135
added
17-Apr-09
3. Title: Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds
Author(s): MAPLE, JR; HWANG, MJ; JALKANEN, KJ; et al.
Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 19 Issue: 4 Pages: 430-458 Published: MAR 1998
Times Cited: 112
DOI: 10.1002/(SICI)1096-987X(199803)19:4<430::AID-JCC5>3.0.CO;2-T
added
17-Apr-09
4. Title: N-acetyl-L-alanine N'-methylamide: A density functional analysis of the vibrational absorption and vibrational circular dichroism spectra
Author(s): JALKANEN, KJ; SUHAI, S
Source: CHEMICAL PHYSICS Volume: 208 Issue: 1 Pages: 81-116 Published: JUL 15 1996
Times Cited: 110
DOI: 10.1016/0301-0104(96)00042-0
added
23-Jan-10
5. Title: 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
Author(s): ELSTNER, M; JALKANEN, KJ; KNAPP-MOHAMMADY, M; et al.
Source: CHEMICAL PHYSICS Volume: 263 Issue: 2-3 Pages: 203-219 Published: JAN 15 2001
Times Cited: 91
DOI: 10.1016/S0301-0104(00)00375-X
added
23-Jan-10
6. Title: Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N '-methylamide in aqueous solution: a combined theoretical and experimental approach
Author(s): JALKANEN, KJ; DEGTYARENKO, IM; NIEMINEN, RM; et al.
Source: THEORETICAL CHEMISTRY ACCOUNTS Volume: 119 Issue: 1-3 Pages: 191-210 Published: JAN 2008
Times Cited: 83
DOI: 10.1007/s00214-007-0361-z
added
12-Mar-09
7. Title: DFT studies on helix formation in N-acetyl-(L-alanyl)(n)-N '-methylamide for n=1-20
Author(s): ELSTNER, M; JALKANEN, KJ; KNAPP-MOHAMMADY, M; et al.
Source: CHEMICAL PHYSICS Volume: 256 Issue: 1 Pages: 15-27 Published: MAY 15 2000
Times Cited: 78
DOI: 10.1016/S0301-0104(00)00100-2
added
23-Jan-10
8. Title: A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of L-alanine
Author(s): JALKANEN, KJ; NIEMINEN, RM; FRIMAND, K; et al.
Source: CHEMICAL PHYSICS Volume: 265 Issue: 2 Pages: 125-151 Published: APR 1 2001
Times Cited: 77
DOI: 10.1016/S0301-0104(01)00267-1
added
23-Jan-10
9. Title: Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study
Author(s): FRIMAND, K; BOHR, H; JALKANEN, KJ; et al.
Source: CHEMICAL PHYSICS Volume: 255 Issue: 2-3 Pages: 165-194 Published: MAY 1 2000
Times Cited: 74
DOI: 10.1016/S0301-0104(00)00069-0
added
23-Jan-10
10. Title: EFFICIENT CALCULATION OF VIBRATIONAL MAGNETIC DIPOLE TRANSITION MOMENTS AND ROTATIONAL STRENGTHS
Author(s): AMOS, RD; HANDY, NC; JALKANEN, KJ; et al.
Source: CHEMICAL PHYSICS LETTERS Volume: 133 Issue: 1 Pages: 21-26 Published: JAN 2 1987
Times Cited: 70
DOI: 10.1016/0009-2614(87)80046-5
added
17-Apr-09
publication(s)  
First Page Previous Page Page   of  9  Go Next Page Last Page
  Sort by:    Results per page: