skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases


Not provided.

 [1];  [1];  [1]
  1. Department of Chemistry, North Carolina State University, Raleigh NC
Publication Date:
Research Org.:
Washington Univ., St. Louis, MO (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
DOE Contract Number:  
Resource Type:
Journal Article
Journal Name:
Photochemistry and Photobiology
Additional Journal Information:
Journal Volume: 94; Journal Issue: 2; Journal ID: ISSN 0031-8655
The American Society of Photobiology
Country of Publication:
United States
Biochemistry & Molecular Biology; Biophysics

Citation Formats

Taniguchi, Masahiko, Du, Hai, and Lindsey, Jonathan S. PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases. United States: N. p., 2018. Web. doi:10.1111/php.12862.
Taniguchi, Masahiko, Du, Hai, & Lindsey, Jonathan S. PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases. United States. doi:10.1111/php.12862.
Taniguchi, Masahiko, Du, Hai, and Lindsey, Jonathan S. Mon . "PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases". United States. doi:10.1111/php.12862.
title = {PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases},
author = {Taniguchi, Masahiko and Du, Hai and Lindsey, Jonathan S.},
abstractNote = {Not provided.},
doi = {10.1111/php.12862},
journal = {Photochemistry and Photobiology},
issn = {0031-8655},
number = 2,
volume = 94,
place = {United States},
year = {2018},
month = {2}

Works referenced in this record:

Visible light-harvesting in covalently-linked porphyrin-cyanine dyes
journal, January 1989

Building-block synthesis of porphyrin light-harvesting arrays
journal, August 1993

  • Prathapan, Sreedharan; Johnson, Thomas E.; Lindsey, Jonathan S.
  • Journal of the American Chemical Society, Vol. 115, Issue 16
  • DOI: 10.1021/ja00069a068

A molecular photonic wire
journal, October 1994

  • Wagner, Richard W.; Lindsey, Jonathan S.
  • Journal of the American Chemical Society, Vol. 116, Issue 21
  • DOI: 10.1021/ja00100a055

Weakly Coupled Molecular Photonic Wires:  Synthesis and Excited-State Energy-Transfer Dynamics
journal, May 2002

  • Ambroise, Arounaguiry; Kirmaier, Christine; Wagner, Richard W.
  • The Journal of Organic Chemistry, Vol. 67, Issue 11
  • DOI: 10.1021/jo025561i

Soluble Synthetic Multiporphyrin Arrays. 2. Photodynamics of Energy-Transfer Processes
journal, January 1996

  • Hsiao, Jiunn-Shyong; Krueger, Brent P.; Wagner, Richard W.
  • Journal of the American Chemical Society, Vol. 118, Issue 45
  • DOI: 10.1021/ja961612f

PhotochemCAD 2: A Refined Program with Accompanying Spectral Databases for Photochemical Calculations¶
journal, January 2005

  • Dixon, James M.; Taniguchi, Masahiko; Lindsey, Jonathan S.
  • Photochemistry and Photobiology, Vol. 81, Issue 1
  • DOI: 10.1562/2004-11-06-TSN-361.1

Spectral Signatures of Photosynthesis. I. Review of Earth Organisms
journal, February 2007

Database of Absorption and Fluorescence Spectra of >300 Common Compounds for use in PhotochemCAD
journal, February 2018

  • Taniguchi, Masahiko; Lindsey, Jonathan S.
  • Photochemistry and Photobiology, Vol. 94, Issue 2
  • DOI: 10.1111/php.12860

Recalling the appropriate representation of electronic spectra
journal, November 2006

  • Angulo, Gonzalo; Grampp, Guenter; Rosspeintner, Arnulf
  • Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 65, Issue 3-4
  • DOI: 10.1016/j.saa.2006.01.007

Dipole Strengths in the Chlorophylls¶†
journal, January 2003

Photometric Method for the Quantification of Chlorophylls and Their Derivatives in Complex Mixtures: Fitting with Gauss-Peak Spectra
journal, November 2000

  • Küpper, Hendrik; Spiller, Martin; Küpper, Frithjof C.
  • Analytical Biochemistry, Vol. 286, Issue 2
  • DOI: 10.1006/abio.2000.4794

On the Photoreceptor Pigment for Phototropism and Phototaxis: is a Carotenoid the most Likely Candidate?
journal, June 1974

Spectroscopy of Organic Molecules in the Vacuum Ultraviolet
journal, July 1944

Intensities of Electronic Transitions in Molecular Spectra I. Introduction
journal, January 1939

  • Mulliken, Robert S.
  • The Journal of Chemical Physics, Vol. 7, Issue 1
  • DOI: 10.1063/1.1750317

Spectra of porphyrins
journal, January 1961

Study of the Effects of Substitution on the Absorption Spectra of Porphin
journal, May 1959

  • Gouterman, Martin
  • The Journal of Chemical Physics, Vol. 30, Issue 5
  • DOI: 10.1063/1.1730148

Einstein coefficients, cross sections, f values, dipole moments, and all that
journal, November 1982

  • Hilborn, Robert C.
  • American Journal of Physics, Vol. 50, Issue 11
  • DOI: 10.1119/1.12937

Relationship between Absorption Intensity and Fluorescence Lifetime of Molecules
journal, August 1962

  • Strickler, S. J.; Berg, Robert A.
  • The Journal of Chemical Physics, Vol. 37, Issue 4
  • DOI: 10.1063/1.1733166

Absorption Intensity and Fluorescence Lifetimes of Molecules
journal, March 1964

  • Ware, William R.; Baldwin, Bernard A.
  • The Journal of Chemical Physics, Vol. 40, Issue 6
  • DOI: 10.1063/1.1725384

Predicted observable fluorescent lifetimes of several cyanines
journal, June 1974

  • Roth, Nancy J. L.; Craig, Arnold C.
  • The Journal of Physical Chemistry, Vol. 78, Issue 12
  • DOI: 10.1021/j100605a005

journal, November 1982

Förster’s resonance excitation transfer theory: not just a formula
journal, January 2012

Kappa-squared: from nuisance to new sense
journal, January 2002

On the refractive index correction in luminescence spectroscopy
journal, April 1982

Intramolecular singlet excitation transfer. Applications to polypeptides
journal, October 1969

  • Eisinger, Joseph; Feuer, B.; Lamola, Angelo A.
  • Biochemistry, Vol. 8, Issue 10
  • DOI: 10.1021/bi00838a005

Intramolecular distances determined by energy transfer. Dependence on orientational freedom of donor and acceptor
journal, August 1974

Intramolecular energy transfer and molecular conformation.
journal, February 1976

  • Dale, R. E.; Eisinger, J.
  • Proceedings of the National Academy of Sciences, Vol. 73, Issue 2
  • DOI: 10.1073/pnas.73.2.271

Interpretation of intramolecular energy transfer experiments
journal, April 1974

Energy transport and trapping in a synthetic chlorophyllide substituted hemoglobin: orientation of the chlorophyll S1 transition dipole
journal, March 1984

  • Moog, Richard S.; Kuki, Atsuo; Fayer, M. D.
  • Biochemistry, Vol. 23, Issue 7
  • DOI: 10.1021/bi00302a034

Energy transfer: a spectroscopic ruler.
journal, August 1967

  • Stryer, L.; Haugland, R. P.
  • Proceedings of the National Academy of Sciences, Vol. 58, Issue 2
  • DOI: 10.1073/pnas.58.2.719

Design, Synthesis, and Photodynamics of Light-Harvesting Arrays Comprised of a Porphyrin and One, Two, or Eight Boron-Dipyrrin Accessory Pigments
journal, October 1998

  • Li, Feirong; Yang, Sung Ik; Ciringh, Yangzhen
  • Journal of the American Chemical Society, Vol. 120, Issue 39
  • DOI: 10.1021/ja9812047

An Artificial Photosynthetic Antenna-Reaction Center Complex
journal, September 1999

  • Kuciauskas, Darius; Liddell, Paul A.; Lin, Su
  • Journal of the American Chemical Society, Vol. 121, Issue 37
  • DOI: 10.1021/ja991255j

Effects of Metalation State (Free Base, Mg, Zn, Cd) on Excited-State Energy Transfer in Diarylethyne-Linked Porphyrin Dimers
journal, October 1999

  • Hascoat, Philippe; Yang, Sung Ik; Lammi, Robin K.
  • Inorganic Chemistry, Vol. 38, Issue 21
  • DOI: 10.1021/ic990469z

A Self-Assembled Light-Harvesting Array of Seven Porphyrins in a Wheel and Spoke Architecture
journal, August 2000

  • Ambroise, Arounaguiry; Li, Junzhong; Yu, Lianhe
  • Organic Letters, Vol. 2, Issue 17
  • DOI: 10.1021/ol006036d

Synthesis and Excited-State Photodynamics of Perylene−Porphyrin Dyads. 1. Parallel Energy and Charge Transfer via a Diphenylethyne Linker
journal, August 2001

  • Prathapan, Sreedharan; Yang, Sung Ik; Seth, Jyoti
  • The Journal of Physical Chemistry B, Vol. 105, Issue 34
  • DOI: 10.1021/jp010335i

Maple™-assisted calculations of the J-integral: a key parameter for the understanding of excited state energy transfer in porphyrins and other chromophores
journal, August 2014

  • Langlois, Adam; Harvey, Pierre D.
  • Journal of Porphyrins and Phthalocyanines, Vol. 18, Issue 08n09
  • DOI: 10.1142/S1088424614500400

Calculation of Couplings and Energy-Transfer Pathways between the Pigments of LH2 by the ab Initio Transition Density Cube Method
journal, July 1998

  • Krueger, Brent P.; Scholes, Gregory D.; Fleming, Graham R.
  • The Journal of Physical Chemistry B, Vol. 102, Issue 27
  • DOI: 10.1021/jp9811171

Dependence of the Kinetics of Singlet-Singlet Energy Transfer on Spectral Overlap
journal, May 1969

  • Haugland, R. P.; Yguerabide, J.; Stryer, L.
  • Proceedings of the National Academy of Sciences, Vol. 63, Issue 1
  • DOI: 10.1073/pnas.63.1.23

FRETView: a computer program to simplify the process of obtaining fluorescence resonance energy transfer parameters
journal, January 2007

  • Stevens, Nathan; Dyer, Joanne; Martí, Angel A.
  • Photochemical & Photobiological Sciences, Vol. 6, Issue 8
  • DOI: 10.1039/b702631e

FRETmatrix: a general methodology for the simulation and analysis of FRET in nucleic acids
journal, September 2012

  • Preus, Søren; Kilså, Kristine; Miannay, Francois-Alexandre
  • Nucleic Acids Research, Vol. 41, Issue 1
  • DOI: 10.1093/nar/gks856

Advances in Quantitative FRET-Based Methods for Studying Nucleic Acids
journal, August 2012

A Theory of Sensitized Luminescence in Solids
journal, May 1953

  • Dexter, D. L.
  • The Journal of Chemical Physics, Vol. 21, Issue 5, p. 836-850
  • DOI: 10.1063/1.1699044

Probing Electronic Communication in Covalently Linked Multiporphyrin Arrays. A Guide to the Rational Design of Molecular Photonic Devices
journal, January 2002

  • Holten, Dewey; Bocian, David F.; Lindsey, Jonathan S.
  • Accounts of Chemical Research, Vol. 35, Issue 1
  • DOI: 10.1021/ar970264z

Excited-State Energy Flow in Covalently Linked Multiporphyrin Arrays:  The Essential Contribution of Energy Transfer between Nonadjacent Chromophores
journal, August 2004

  • Hindin, Eve; Forties, Robert A.; Loewe, Robert S.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 34
  • DOI: 10.1021/jp047803j

Self-Assembled Light-Harvesting System from Chromophores in Lipid Vesicles
journal, July 2015

  • Sahin, Tuba; Harris, Michelle A.; Vairaprakash, Pothiappan
  • The Journal of Physical Chemistry B, Vol. 119, Issue 32
  • DOI: 10.1021/acs.jpcb.5b04841

Sequential Application of Simplex Designs in Optimisation and Evolutionary Operation
journal, November 1962

Reflections on the modified simplex—I
journal, August 1985

Reflections on the modified simplex—II1
journal, August 1985

Polarity-tunable and wavelength-tunable bacteriochlorins bearing a single carboxylic acid or NHS ester. Use in a protein bioconjugation model system
journal, January 2015

  • Jiang, Jianbing; Chen, Chih-Yuan; Zhang, Nuonuo
  • New Journal of Chemistry, Vol. 39, Issue 1
  • DOI: 10.1039/C4NJ01340A