cached image

Karl F. Freed - Publications

Affiliations: 
University of Chicago, Chicago, IL 
Area:
statistical mechanics of polymers in the liquid phase, protein dynamics aggregation, and folding, equilibrium aggregation phenomena, and molecular electronic structure
Website:
http://chemistry.uchicago.edu/faculty/faculty/person/member/karl-f-freed.html

318 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Wang Z, Jumper JM, Freed KF, Sosnick TR. On the Interpretation of Force-Induced Unfolding Studies of Membrane Proteins Using Fast Simulations. Biophysical Journal. PMID 31587831 DOI: 10.1016/j.bpj.2019.09.011  1
2019 Dudowicz J, Douglas JF, Freed KF. Lattice theory for binding of linear polymers to a solid substrate from polymer melts. II. Influence of van der Waals interactions and chain semiflexibility on molecular binding and adsorption. The Journal of Chemical Physics. 151: 124709. PMID 31575163 DOI: 10.1063/1.5115484  0.36
2019 Dudowicz J, Douglas JF, Freed KF. Lattice theory for binding of linear polymers to a solid substrate from polymer melts: I. Influence of chain connectivity on molecular binding and adsorption. The Journal of Chemical Physics. 151: 124706. PMID 31575160 DOI: 10.1063/1.5115400  0.36
2018 Jumper JM, Faruk NF, Freed KF, Sosnick TR. Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics. Plos Computational Biology. 14: e1006342. PMID 30589846 DOI: 10.1371/journal.pcbi.1006342  1
2018 Jumper JM, Faruk NF, Freed KF, Sosnick TR. Trajectory-based training enables protein simulations with accurate folding and Boltzmann ensembles in cpu-hours. Plos Computational Biology. 14: e1006578. PMID 30589834 DOI: 10.1371/journal.pcbi.1006578  1
2018 Wang Z, Jumper JM, Wang S, Freed KF, Sosnick TR. A Membrane Burial Potential with H-Bonds and Applications to Curved Membranes and Fast Simulations. Biophysical Journal. PMID 30413241 DOI: 10.1016/j.bpj.2018.10.012  1
2018 Lian H, Qin J, Freed KF. Dielectric virial expansion of polarizable dipolar spheres. The Journal of Chemical Physics. 149: 163332. PMID 30384679 DOI: 10.1063/1.5035551  0.8
2018 Riback JA, Bowman MA, Zmyslowski A, Knoverek CR, Jumper J, Kaye EB, Freed KF, Clark PL, Sosnick TR. Response to Comment on "Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water". Science (New York, N.Y.). 361. PMID 30166460 DOI: 10.1126/science.aar7949  1
2017 Riback JA, Bowman MA, Zmyslowski AM, Knoverek CR, Jumper JM, Hinshaw JR, Kaye EB, Freed KF, Clark PL, Sosnick TR. Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water. Science (New York, N.Y.). 358: 238-241. PMID 29026044 DOI: 10.1126/science.aan5774  1
2017 Gustafson KS, Xu G, Freed KF, Qin J. Image method for electrostatic energy of polarizable dipolar spheres. The Journal of Chemical Physics. 147: 064908. PMID 28810793 DOI: 10.1063/1.4997620  0.8
2017 Dudowicz J, Douglas JF, Freed KF. Mixtures of two self- and mutually-associating liquids: Phase behavior, second virial coefficients, and entropy-enthalpy compensation in the free energy of mixing. The Journal of Chemical Physics. 147: 064909. PMID 28810766 DOI: 10.1063/1.4996921  0.36
2017 Haddadian EJ, Zhang H, Freed KF, Douglas JF. Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles. Scientific Reports. 7: 41671. PMID 28176808 DOI: 10.1038/srep41671  0.84
2016 Xu WS, Douglas JF, Freed KF. Generalized entropy theory of glass-formation in fully flexible polymer melts. The Journal of Chemical Physics. 145: 234509. PMID 28010099 DOI: 10.1063/1.4972412  0.88
2016 Qin J, de Pablo JJ, Freed KF. Image method for induced surface charge from many-body system of dielectric spheres. The Journal of Chemical Physics. 145: 124903. PMID 27782617 DOI: 10.1063/1.4962832  0.8
2016 Virtanen JJ, Sosnick TR, Freed KF. Erratum: "Ionic strength independence of charge distributions in solvation of biomolecules" [J. Chem. Phys. 141, 22D503 (2014)]. The Journal of Chemical Physics. 145: 059903. PMID 27497583 DOI: 10.1063/1.4959170  1
2016 Xu WS, Freed KF. Self-assembly and glass-formation in a lattice model of telechelic polymer melts: Influence of stiffness of the sticky bonds. The Journal of Chemical Physics. 144: 214903. PMID 27276966 DOI: 10.1063/1.4952979  0.88
2016 Dudowicz JB, Freed KF, Douglas JF. Relation Between Solvent Quality and Phase Behavior of Ternary Mixtures of Polymers and Two Solvents that Exhibit Cononsolvency. The Journal of Physical Chemistry. B. PMID 27253170 DOI: 10.1021/acs.jpcb.6b03248  1
2016 Yu W, Baxa MC, Gagnon I, Freed KF, Sosnick TR. Cooperative folding near the downhill limit determined with amino acid resolution by hydrogen exchange. Proceedings of the National Academy of Sciences of the United States of America. PMID 27078098 DOI: 10.1073/pnas.1522500113  1
2016 Qin J, Li J, Lee V, Jaeger H, de Pablo JJ, Freed KF. A theory of interactions between polarizable dielectric spheres. Journal of Colloid and Interface Science. 469: 237-241. PMID 26896771 DOI: 10.1016/j.jcis.2016.02.033  1
2015 Dudowicz J, Freed KF, Douglas JF. Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions. The Journal of Chemical Physics. 143: 194901. PMID 26590552 DOI: 10.1063/1.4935705  0.36
2015 Dudowicz J, Freed KF, Douglas JF. Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory. The Journal of Chemical Physics. 143: 131101. PMID 26450285 DOI: 10.1063/1.4932061  1
2015 Freed KF. Communication: The simplified generalized entropy theory of glass-formation in polymer melts. The Journal of Chemical Physics. 143: 051102. PMID 26254633 DOI: 10.1063/1.4927766  1
2015 Xu WS, Freed KF. Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties. The Journal of Chemical Physics. 143: 024902. PMID 26178122 DOI: 10.1063/1.4926359  1
2015 Xu WS, Freed KF. Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory. The Journal of Chemical Physics. 143: 024901. PMID 26178121 DOI: 10.1063/1.4926358  1
2015 Baxa MC, Yu W, Adhikari AN, Ge L, Xia Z, Zhou R, Freed KF, Sosnick TR. Even with nonnative interactions, the updated folding transition states of the homologs Proteins G & L are extensive and similar. Proceedings of the National Academy of Sciences of the United States of America. PMID 26100906 DOI: 10.1073/pnas.1503613112  1
2015 Dudowicz J, Freed KF, Douglas JF. Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent. The Journal of Chemical Physics. 142: 214906. PMID 26049523 DOI: 10.1063/1.4921373  0.36
2015 Dudowicz J, Douglas JF, Freed KF. The meaning of the "universal" WLF parameters of glass-forming polymer liquids. The Journal of Chemical Physics. 142: 014905. PMID 25573581 DOI: 10.1063/1.4905216  0.36
2015 Dudowicz J, Freed KF, Douglas JF. Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent Journal of Chemical Physics. 142. DOI: 10.1063/1.4921373  0.56
2015 Freed KF. Lattice cluster theory for dense, thin polymer films Journal of Chemical Physics. 142. DOI: 10.1063/1.4916383  0.56
2015 Dudowicz J, Douglas JF, Freed KF. The meaning of the "universal" WLF parameters of glass-forming polymer liquids Journal of Chemical Physics. 142. DOI: 10.1063/1.4905216  0.56
2015 Xu WS, Freed KF. Generalized entropy theory of glass formation in polymer melts with specific interactions Macromolecules. 48: 2333-2343. DOI: 10.1021/acs.macromol.5b00144  0.56
2014 Dudowicz J, Douglas JF, Freed KF. Advances in the generalized entropy theory of glass-formation in polymer melts. The Journal of Chemical Physics. 141: 234903. PMID 25527959 DOI: 10.1063/1.4903842  0.36
2014 Virtanen JJ, Sosnick TR, Freed KF. Ionic strength independence of charge distributions in solvation of biomolecules. The Journal of Chemical Physics. 141: 22D503. PMID 25494774 DOI: 10.1063/1.4895522  1
2014 Skinner JJ, Yu W, Gichana EK, Baxa MC, Hinshaw JR, Freed KF, Sosnick TR. Benchmarking all-atom simulations using hydrogen exchange. Proceedings of the National Academy of Sciences of the United States of America. 111: 15975-80. PMID 25349413 DOI: 10.1073/pnas.1404213111  1
2014 Baxa MC, Haddadian EJ, Jumper JM, Freed KF, Sosnick TR. Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations. Proceedings of the National Academy of Sciences of the United States of America. 111: 15396-401. PMID 25313044 DOI: 10.1073/pnas.1407768111  1
2014 Xu WS, Freed KF. Lattice cluster theory for polymer melts with specific interactions. The Journal of Chemical Physics. 141: 044909. PMID 25084958 DOI: 10.1063/1.4890959  0.88
2014 Dudowicz J, Douglas JF, Freed KF. Two glass transitions in miscible polymer blends? The Journal of Chemical Physics. 140: 244905. PMID 24985676 DOI: 10.1063/1.4884123  0.36
2014 Dudowicz J, Freed KF, Douglas JF. Concentration fluctuations in miscible polymer blends: influence of temperature and chain rigidity. The Journal of Chemical Physics. 140: 194901. PMID 24852557 DOI: 10.1063/1.4875345  0.36
2014 Dudowicz J, Douglas JF, Freed KF. Advances in the generalized entropy theory of glass-formation in polymer melts Journal of Chemical Physics. 141. DOI: 10.1063/1.4903842  1
2014 Freed KF. Communication: Towards first principles theory of relaxation in supercooled liquids formulated in terms of cooperative motion Journal of Chemical Physics. 141. DOI: 10.1063/1.4897973  1
2014 Xu WS, Freed KF. Lattice cluster theory for polymer melts with specific interactions Journal of Chemical Physics. 141. DOI: 10.1063/1.4890959  1
2014 Freed KF. Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium Journal of Chemical Physics. 141. DOI: 10.1063/1.4890077  1
2014 Dudowicz J, Douglas JF, Freed KF. Two glass transitions in miscible polymer blends? Journal of Chemical Physics. 140. DOI: 10.1063/1.4884123  1
2014 Dudowicz J, Freed KF, Douglas JF. Concentration fluctuations in miscible polymer blends: Influence of temperature and chain rigidity Journal of Chemical Physics. 140. DOI: 10.1063/1.4875345  1
2014 Xu WS, Freed KF. Influence of cohesive energy and chain stiffness on polymer glass formation Macromolecules. 47: 6990-6997. DOI: 10.1021/ma501581u  1
2013 Liu Y, Haddadian E, Sosnick TR, Freed KF, Gong H. A novel implicit solvent model for simulating the molecular dynamics of RNA. Biophysical Journal. 105: 1248-57. PMID 24010668 DOI: 10.1016/j.bpj.2013.07.033  1
2013 Adhikari AN, Freed KF, Sosnick TR. Simplified protein models: predicting folding pathways and structure using amino acid sequences. Physical Review Letters. 111: 028103. PMID 23889448 DOI: 10.1103/PhysRevLett.111.028103  1
2013 Xu WS, Freed KF. Thermodynamic scaling of dynamics in polymer melts: predictions from the generalized entropy theory. The Journal of Chemical Physics. 138: 234501. PMID 23802965 DOI: 10.1063/1.4809991  0.88
2013 Dudowicz J, Freed KF, Douglas JF. Solvation of polymers as mutual association. II. Basic thermodynamic properties Journal of Chemical Physics. 138. PMID 23635166 DOI: 10.1063/1.4800082  1
2013 Dudowicz J, Freed KF, Douglas JF. Solvation of polymers as mutual association. I. General theory Journal of Chemical Physics. 138. PMID 23635165 DOI: 10.1063/1.4800074  1
2013 Chaudhuri RK, Freed KF, Chattopadhyay S, Mahapatra US. Theoretical studies of the ground and excited state structures of stilbene. The Journal of Physical Chemistry. A. 117: 9424-34. PMID 23530611 DOI: 10.1021/jp311493w  0.36
2013 Fan J, Saunders MG, Haddadian EJ, Freed KF, De La Cruz EM, Voth GA. Molecular origins of cofilin-linked changes in actin filament mechanics. Journal of Molecular Biology. 425: 1225-40. PMID 23352932 DOI: 10.1016/j.jmb.2013.01.020  1
2013 Adhikari AN, Freed KF, Sosnick TR. Simplified protein models: Predicting folding pathways and structure using amino acid sequences Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.028103  1
2013 Freed KF. Phase field method for nonequilibrium dynamics of reversible self-assembly systems Journal of Chemical Physics. 139. DOI: 10.1063/1.4822304  1
2013 Xu WS, Freed KF. Thermodynamic scaling of dynamics in polymer melts: Predictions from the generalized entropy theory Journal of Chemical Physics. 138. DOI: 10.1063/1.4809991  1
2013 Chaudhuri RK, Freed KF, Chattopadhyay S, Mahapatra US. Theoretical studies of the ground and excited state structures of stilbene Journal of Physical Chemistry A. 117: 9424-9434. DOI: 10.1021/jp311493w  1
2012 Freed KF. Cooperativity in self-limiting equilibrium self-associating systems Journal of Chemical Physics. 137. PMID 23206030 DOI: 10.1063/1.4767532  1
2012 Adhikari AN, Freed KF, Sosnick TR. De novo prediction of protein folding pathways and structure using the principle of sequential stabilization. Proceedings of the National Academy of Sciences of the United States of America. 109: 17442-7. PMID 23045636 DOI: 10.1073/pnas.1209000109  1
2012 Baxa MC, Haddadian EJ, Jha AK, Freed KF, Sosnick TR. Context and force field dependence of the loss of protein backbone entropy upon folding using realistic denatured and native state ensembles. Journal of the American Chemical Society. 134: 15929-36. PMID 22928488 DOI: 10.1021/ja3064028  1
2012 Freed KF. Influence of small rings on the thermodynamics of equilibrium self-assembly Journal of Chemical Physics. 136. PMID 22755600 DOI: 10.1063/1.4730161  1
2012 Dudowicz J, Freed KF, Douglas JF. Lattice cluster theory of associating polymers. IV. Phase behavior of telechelic polymer solutions. The Journal of Chemical Physics. 136: 194903. PMID 22612112 DOI: 10.1063/1.4714563  0.36
2012 Dudowicz J, Freed KF, Douglas JF. Lattice cluster theory of associating telechelic polymers. III. Order parameter and average degree of self-assembly, transition temperature, and specific heat. The Journal of Chemical Physics. 136: 194902. PMID 22612111 DOI: 10.1063/1.4714562  0.36
2012 Yoo TY, Adhikari A, Xia Z, Huynh T, Freed KF, Zhou R, Sosnick TR. The folding transition state of protein L is extensive with nonnative interactions (and not small and polarized). Journal of Molecular Biology. 420: 220-34. PMID 22522126 DOI: 10.1016/j.jmb.2012.04.013  1
2012 Parisien M, Freed KF, Sosnick TR. On docking, scoring and assessing protein-DNA complexes in a rigid-body framework. Plos One. 7: e32647. PMID 22393431 DOI: 10.1371/journal.pone.0032647  1
2012 Dudowicz J, Freed KF, Douglas JF. Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter χ for solutions of telechelic molecules. The Journal of Chemical Physics. 136: 064903. PMID 22360220 DOI: 10.1063/1.3681256  0.36
2012 Dudowicz J, Freed KF. Lattice cluster theory of associating polymers. I. Solutions of linear telechelic polymer chains Journal of Chemical Physics. 136. PMID 22360219 DOI: 10.1063/1.3681257  1
2012 Adhikari AN, Peng J, Wilde M, Xu J, Freed KF, Sosnick TR. Modeling large regions in proteins: applications to loops, termini, and folding. Protein Science : a Publication of the Protein Society. 21: 107-21. PMID 22095743 DOI: 10.1002/pro.767  1
2012 Chaudhuri RK, Freed KF, Chattopadhyay S, Mahapatra US. Theoretical aids in screening candidates for atomic clocks: Illustration for Yb II Epl. 98. DOI: 10.1209/0295-5075/98/23002  1
2012 Dudowicz J, Freed KF, Douglas JF. Lattice cluster theory of associating polymers. IV. Phase behavior of telechelic polymer solutions Journal of Chemical Physics. 136. DOI: 10.1063/1.4714563  1
2012 Dudowicz J, Freed KF, Douglas JF. Lattice cluster theory of associating telechelic polymers. III. Order parameter and average degree of self-assembly, transition temperature, and specific heat Journal of Chemical Physics. 136. DOI: 10.1063/1.4714562  1
2012 Dudowicz J, Freed KF, Douglas JF. Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter for solutions of telechelic molecules Journal of Chemical Physics. 136. DOI: 10.1063/1.3681256  1
2012 Dudowicz J, Freed KF, Douglas JF. Can the miscibility of telechelic polymer solutions increase with polymer chain length? Acs Macro Letters. 1: 88-91. DOI: 10.1021/mz200101p  1
2012 Debartolo J, Jha A, Freed KF, Sosnick TR. Local Backbone Preferences and Nearest-Neighbor Effects in the Unfolded and Native States Protein and Peptide Folding, Misfolding, and Non-Folding. 79-98. DOI: 10.1002/9781118183373.ch3  1
2011 Freed KF, Wu C. General approach to polymer chains confined by interacting boundaries. II. Flow through a cylindrical nano-tube. The Journal of Chemical Physics. 135: 144902. PMID 22010730 DOI: 10.1063/1.3646959  1
2011 Virtanen JJ, Makowski L, Sosnick TR, Freed KF. Modeling the hydration layer around proteins: applications to small- and wide-angle x-ray scattering. Biophysical Journal. 101: 2061-9. PMID 22004761 DOI: 10.1016/j.bpj.2011.09.021  1
2011 Chaudhuri RK, Freed KF, Chattopadhyay S, Mahapatra US. Application of an efficient multireference approach to free-base porphin and metalloporphyrins: ground, excited, and positive ion states. The Journal of Chemical Physics. 135: 084118. PMID 21895170 DOI: 10.1063/1.3627153  0.36
2011 Haddadian EJ, Gong H, Jha AK, Yang X, Debartolo J, Hinshaw JR, Rice PA, Sosnick TR, Freed KF. Automated real-space refinement of protein structures using a realistic backbone move set. Biophysical Journal. 101: 899-909. PMID 21843481 DOI: 10.1016/j.bpj.2011.06.063  1
2011 Chattopadhyay S, Chaudhuri RK, Freed KF. Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach. Physical Chemistry Chemical Physics : Pccp. 13: 7514-23. PMID 21423953 DOI: 10.1039/c0cp02106g  0.36
2011 Chattopadhyay S, Chaudhuri RK, Freed KF. Geometry optimization of radicaloid systems using improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method Journal of Physical Chemistry A. 115: 3665-3678. PMID 20586459 DOI: 10.1021/jp103536w  1
2011 Freed KF, Wu C. General approach to polymer chains confined by interacting boundaries. II. Flow through a cylindrical nano-tube Journal of Chemical Physics. 135. DOI: 10.1063/1.3646959  1
2011 Chaudhuri RK, Freed KF, Chattopadhyay S, Mahapatra US. Application of an efficient multireference approach to free-base porphin and metalloporphyrins: Ground, excited, and positive ion states Journal of Chemical Physics. 135. DOI: 10.1063/1.3627153  1
2011 Chattopadhyay S, Chaudhuri RK, Freed KF. Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach Physical Chemistry Chemical Physics. 13: 7514-7523. DOI: 10.1039/c0cp02106g  1
2011 Freed KF, Wu C. Comparison of calculated and measured critical flow rates for dragging linear polymer chains through a small cylindrical tube Macromolecules. 44: 9863-9866. DOI: 10.1021/ma202071b  1
2011 Freed KF. Entropy-enthalpy compensation in chemical reactions and adsorption: An exactly solvable model Journal of Physical Chemistry B. 115: 1689-1692. DOI: 10.1021/jp1105696  1
2011 Freed KF. The descent into glass formation in polymer fluids Accounts of Chemical Research. 44: 194-203. DOI: 10.1021/ar100122w  1
2010 Freed KF, Dudowicz J, Stukalin EB, Douglas JF. General approach to polymer chains confined by interacting boundaries. The Journal of Chemical Physics. 133: 094901. PMID 20831332 DOI: 10.1063/1.3475520  1
2010 Virtanen JJ, Makowski L, Sosnick TR, Freed KF. Modeling the hydration layer around proteins: HyPred. Biophysical Journal. 99: 1611-9. PMID 20816074 DOI: 10.1016/j.bpj.2010.06.027  1
2010 Zhao F, Peng J, Debartolo J, Freed KF, Sosnick TR, Xu J. A probabilistic and continuous model of protein conformational space for template-free modeling. Journal of Computational Biology : a Journal of Computational Molecular Cell Biology. 17: 783-98. PMID 20583926 DOI: 10.1089/cmb.2009.0235  1
2010 Stukalin EB, Douglas JF, Freed KF. Plasticization and antiplasticization of polymer melts diluted by low molar mass species. The Journal of Chemical Physics. 132: 084504. PMID 20192304 DOI: 10.1063/1.3304738  0.36
2010 Baird NJ, Gong H, Zaheer SS, Freed KF, Pan T, Sosnick TR. Extended structures in RNA folding intermediates are due to nonnative interactions rather than electrostatic repulsion. Journal of Molecular Biology. 397: 1298-306. PMID 20188108 DOI: 10.1016/j.jmb.2010.02.025  1
2010 Gong H, Freed KF. Electrostatic solvation energy for two oppositely charged Ions in a solvated protein system: Salt bridges can stabilize proteins Biophysical Journal. 98: 470-477. PMID 20141761 DOI: 10.1016/j.bpj.2009.10.031  1
2010 Chaudhuri RK, Chattopadhyay S, Mahapatra US, Freed KF. Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method. The Journal of Chemical Physics. 132: 034105. PMID 20095726 DOI: 10.1063/1.3290203  0.36
2010 DeBartolo J, Hocky G, Wilde M, Xu J, Freed KF, Sosnick TR. Protein structure prediction enhanced with evolutionary diversity: SPEED. Protein Science : a Publication of the Protein Society. 19: 520-34. PMID 20066664 DOI: 10.1002/pro.330  1
2010 Hayes D, Panitchayangkoon G, Fransted KA, Caram JR, Wen J, Freed KF, Engel GS. Dynamics of electronic dephasing in the Fenna-Matthews-Olson complex New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/6/065042  1
2010 Stukalin EB, Douglas JF, Freed KF. Plasticization and antiplasticization of polymer melts diluted by low molar mass species Journal of Chemical Physics. 132. DOI: 10.1063/1.3304738  1
2010 Chaudhuri RK, Chattopadhyay S, Mahapatra US, Freed KF. Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method Journal of Chemical Physics. 132. DOI: 10.1063/1.3290203  1
2009 Zhao F, Peng J, Debartolo J, Freed KF, Sosnick TR, Xu J. A Probabilistic Graphical Model for Ab Initio Folding. Research in Computational Molecular Biology : ... Annual International Conference, Recomb ... : Proceedings. Recomb (Conference : 2005-). 5541: 59-73. PMID 23459639 DOI: 10.1007/978-3-642-02008-7_5  1
2009 Douglas JF, Dudowicz J, Freed KF. Crowding induced self-assembly and enthalpy-entropy compensation. Physical Review Letters. 103: 135701. PMID 19905522 DOI: 10.1103/PhysRevLett.103.135701  0.36
2009 Stukalin EB, Douglas JF, Freed KF. Application of the entropy theory of glass formation to poly(alpha-olefins). The Journal of Chemical Physics. 131: 114905. PMID 19778147 DOI: 10.1063/1.3216109  0.36
2009 Dudowicz J, Douglas JF, Freed KF. An exactly solvable model of hierarchical self-assembly Journal of Chemical Physics. 130. PMID 19530788 DOI: 10.1063/1.3148893  1
2009 Dudowicz J, Douglas JF, Freed KF. Equilibrium polymerization models of re-entrant self-assembly. The Journal of Chemical Physics. 130: 164905. PMID 19405628 DOI: 10.1063/1.3118671  0.36
2009 Gong H, Freed KF. Langevin-Debye model for nonlinear electrostatic screening of solvated ions. Physical Review Letters. 102: 057603. PMID 19257555 DOI: 10.1103/PhysRevLett.102.057603  1
2009 Dudowicz J, Douglas JF, Freed KF. Competition between self-assembly and surface adsorption Journal of Chemical Physics. 130. PMID 19256623 DOI: 10.1063/1.3077866  1
2009 Baxa MC, Freed KF, Sosnick TR. Psi-constrained simulations of protein folding transition states: implications for calculating. Journal of Molecular Biology. 386: 920-8. PMID 19244613 DOI: 10.1016/j.jmb.2009.01.010  1
2009 DeBartolo J, Colubri A, Jha AK, Fitzgerald JE, Freed KF, Sosnick TR. Mimicking the folding pathway to improve homology-free protein structure prediction. Proceedings of the National Academy of Sciences of the United States of America. 106: 3734-9. PMID 19237560 DOI: 10.1073/pnas.0811363106  1
2009 Dudowicz J, Douglas JF, Freed KF. Self-assembly in a polymer matrix and its impact on phase separation. The Journal of Physical Chemistry. B. 113: 3920-31. PMID 19006266 DOI: 10.1021/jp805829k  0.36
2009 Douglas JF, Dudowicz J, Freed KF. Crowding Induced Self-Assembly and Enthalpy-Entropy Compensation Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.135701  1
2009 Gong H, Freed KF. Langevin-Debye model for nonlinear electrostatic screening of solvated ions Physical Review Letters. 102. DOI: 10.1103/PhysRevLett.102.057603  1
2009 Stukalin EB, Douglas JF, Freed KF. Application of the entropy theory of glass formation to poly(α -olefins) Journal of Chemical Physics. 131. DOI: 10.1063/1.3216109  1
2009 Dudowicz J, Douglas JF, Freed KF. Equilibrium polymerization models of re-entrant self-assembly Journal of Chemical Physics. 130. DOI: 10.1063/1.3118671  1
2009 Freed KF. Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems Journal of Chemical Physics. 130. DOI: 10.1063/1.3078516  1
2009 Dudowicz J, Douglas JF, Freed KF. Self-assembly in a polymer matrix and its impact on phase separation Journal of Physical Chemistry B. 113: 3920-3931. DOI: 10.1021/jp805829k  1
2008 Dudowicz J, Douglas JF, Freed KF. Self-assembly by mutual association: basic thermodynamic properties. The Journal of Physical Chemistry. B. 112: 16193-204. PMID 19367924 DOI: 10.1021/jp806859w  0.36
2008 Stukalin EB, Douglas JF, Freed KF. Multistep relaxation in equilibrium polymer solutions: a minimal model of relaxation in "complex" fluids. The Journal of Chemical Physics. 129: 094901. PMID 19044888 DOI: 10.1063/1.2976341  0.36
2008 Chaudhuri RK, Hammond JR, Freed KF, Chattopadhyay S, Mahapatra US. Reappraisal of cis effect in 1,2-dihaloethenes: an improved virtual orbital multireference approach. The Journal of Chemical Physics. 129: 064101. PMID 18715045 DOI: 10.1063/1.2958284  1
2008 Chaudhuri RK, Freed KF. Improved virtual orbital multireference Møller-Plesset study of the ground and excited electronic states of protonated acetylene, C2H3+. The Journal of Chemical Physics. 129: 054308. PMID 18698901 DOI: 10.1063/1.2958282  0.36
2008 Gong H, Hocky G, Freed KF. Influence of nonlinear electrostatics on transfer energies between liquid phases: Charge burial is far less expensive than Born model Proceedings of the National Academy of Sciences of the United States of America. 105: 11146-11151. PMID 18678891 DOI: 10.1073/pnas.0804506105  1
2008 Baxa MC, Freed KF, Sosnick TR. Quantifying the structural requirements of the folding transition state of protein A and other systems. Journal of Molecular Biology. 381: 1362-81. PMID 18625237 DOI: 10.1016/j.jmb.2008.06.067  1
2008 Douglas JF, Dudowicz J, Freed KF. Lattice model of equilibrium polymerization. VII. Understanding the role of "cooperativity" in self-assembly. The Journal of Chemical Physics. 128: 224901. PMID 18554047 DOI: 10.1063/1.2909195  0.36
2008 Chaudhuri RK, Freed KF, Chattopadhyay S, Sinha Mahapatra U. Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory. The Journal of Chemical Physics. 128: 144304. PMID 18412442 DOI: 10.1063/1.2837662  0.36
2008 Kent A, Jha AK, Fitzgerald JE, Freed KF. Benchmarking implicit solvent folding simulations of the amyloid β(10-35) fragment Journal of Physical Chemistry B. 112: 6175-6186. PMID 18348560 DOI: 10.1021/jp077099h  1
2008 Jha AK, Freed KF. Solvation effect on conformations of 1,2:dimethoxyethane: Charge-dependent nonlinear response in implicit solvent models Journal of Chemical Physics. 128. PMID 18205504 DOI: 10.1063/1.2815764  1
2008 Stukalin EB, Douglas JF, Freed KF. Multistep relaxation in equilibrium polymer solutions: A minimal model of relaxation in "complex" fluids Journal of Chemical Physics. 129. DOI: 10.1063/1.2976341  1
2008 Chaudhuri RK, Freed KF. Improved virtual orbital multireference Møller-Plesset study of the ground and excited electronic states of protonated acetylene, C 2H3 + Journal of Chemical Physics. 129. DOI: 10.1063/1.2958282  1
2008 Douglas JF, Dudowicz J, Freed KF. Lattice model of equilibrium polymerization. VII. Understanding the role of "cooperativity" in self-assembly Journal of Chemical Physics. 128. DOI: 10.1063/1.2909195  1
2008 Chaudhuri RK, Freed KF, Chattopadhyay S, Sinha Mahapatra U. Potential energy curve for isomerization of N2 H2 and C2 H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory Journal of Chemical Physics. 128. DOI: 10.1063/1.2837662  1
2008 Dudowicz J, Douglas JF, Freed KF. Self-assembly by mutual association: Basic thermodynamic properties Journal of Physical Chemistry B. 112: 16193-16204. DOI: 10.1021/jp806859w  1
2008 Dudowicz J, Freed KF, Douglas JF. Generalized entropy theory of polymer glass formation Advances in Chemical Physics. 137: 125-222. DOI: 10.1002/9780470238080.ch3  1
2007 Douglas JF, Dudowicz J, Freed KF. Lattice model of equilibrium polymerization. VI. Measures of fluid "complexity" and search for generalized corresponding states. The Journal of Chemical Physics. 127: 224901. PMID 18081420 DOI: 10.1063/1.2785187  0.36
2007 Fitzgerald JE, Jha AK, Colubri A, Sosnick TR, Freed KF. Reduced C(beta) statistical potentials can outperform all-atom potentials in decoy identification. Protein Science : a Publication of the Protein Society. 16: 2123-39. PMID 17893359 DOI: 10.1110/ps.072939707  1
2007 Chaudhuri RK, Freed KF. Geometry optimization using improved virtual orbitals: a complete active space numerical gradient approach. The Journal of Chemical Physics. 126: 114103. PMID 17381192 DOI: 10.1063/1.2566692  0.36
2007 Fitzgerald JE, Jha AK, Sosnick TR, Freed KF. Polypeptide motions are dominated by peptide group oscillations resulting from dihedral angle correlations between nearest neighbors. Biochemistry. 46: 669-82. PMID 17223689 DOI: 10.1021/bi061575x  1
2007 Douglas JF, Dudowicz J, Freed KF. Lattice model of equilibrium polymerization. VI. Measures of fluid "complexity" and search for generalized corresponding states Journal of Chemical Physics. 127. DOI: 10.1063/1.2785187  1
2007 Chaudhuri RK, Freed KF. Geometry optimization using improved virtual orbitals: A complete active space numerical gradient approach Journal of Chemical Physics. 126. DOI: 10.1063/1.2566692  1
2007 Artyomov MN, Freed KF. Actin polymerization under pressure: A theoretical study Journal of Chemical Physics. 126. DOI: 10.1063/1.2409928  1
2006 Douglas JF, Dudowicz J, Freed KF. Does equilibrium polymerization describe the dynamic heterogeneity of glass-forming liquids? The Journal of Chemical Physics. 125: 144907. PMID 17042650 DOI: 10.1063/1.2356863  0.36
2006 Colubri A, Jha AK, Shen MY, Sali A, Berry RS, Sosnick TR, Freed KF. Minimalist representations and the importance of nearest neighbor effects in protein folding simulations. Journal of Molecular Biology. 363: 835-57. PMID 16982067 DOI: 10.1016/j.jmb.2006.08.035  1
2006 Pandit AD, Jha A, Freed KF, Sosnick TR. Small proteins fold through transition states with native-like topologies. Journal of Molecular Biology. 361: 755-70. PMID 16876194 DOI: 10.1016/j.jmb.2006.06.041  1
2006 Rah K, Freed KF, Dudowicz J, Douglas JF. Lattice model of equilibrium polymerization. V. Scattering properties and the width of the critical regime for phase separation. The Journal of Chemical Physics. 124: 144906. PMID 16626244 DOI: 10.1063/1.2181138  0.36
2006 Dudowicz J, Freed KF, Douglas JF. Entropy theory of polymer glass formation revisited. I. General formulation. The Journal of Chemical Physics. 124: 64901. PMID 16483238 DOI: 10.1063/1.2166391  0.36
2006 Stukalin EB, Freed KF. Minimal model of relaxation in an associating fluid: Viscoelastic and dielectric relaxations in equilibrium polymer solutions Journal of Chemical Physics. 125. DOI: 10.1063/1.2378648  1
2006 Douglas JF, Dudowicz J, Freed KF. Does equilibrium polymerization describe the dynamic heterogeneity of glass-forming liquids? Journal of Chemical Physics. 125. DOI: 10.1063/1.2356863  1
2006 Rah K, Freed KF, Dudowicz J, Douglas JF. Lattice model of equilibrium polymerization. V. Scattering properties and the width of the critical regime for phase separation Journal of Chemical Physics. 124. DOI: 10.1063/1.2181138  1
2006 Dudowicz J, Freed KF, Douglas JF. Entropy theory of polymer glass formation revisited. I. General formulation Journal of Chemical Physics. 124. DOI: 10.1063/1.2166391  1
2006 Chaudhuri RK, Krishnamachari SLNG, Freed KF. Ab initio description of the ground and excited states of cyanogen isomers Journal of Molecular Structure: Theochem. 768: 119-126. DOI: 10.1016/j.theochem.2006.05.019  1
2006 Freed KF. Collision-Induced Intersystem Crossing Advances in Chemical Physics: Photoselective Chemistry. 47: 291-336. DOI: 10.1002/9780470142660.ch10  1
2005 Dudowicz J, Freed KF, Douglas JF. Fragility of glass-forming polymer liquids. The Journal of Physical Chemistry. B. 109: 21350-6. PMID 16853769 DOI: 10.1021/jp053693k  0.36
2005 Dudowicz J, Freed KF, Douglas JF. The glass transition temperature of polymer melts. The Journal of Physical Chemistry. B. 109: 21285-92. PMID 16853759 DOI: 10.1021/jp0523266  0.36
2005 Dudowicz J, Freed KF, Douglas JF. Direct computation of characteristic temperatures and relaxation times for glass-forming polymer liquids. The Journal of Chemical Physics. 123: 111102. PMID 16392543  0.36
2005 Jha AK, Colubri A, Freed KF, Sosnick TR. Statistical coil model of the unfolded state: resolving the reconciliation problem. Proceedings of the National Academy of Sciences of the United States of America. 102: 13099-104. PMID 16131545 DOI: 10.1073/pnas.0506078102  1
2005 Jha AK, Colubri A, Zaman MH, Koide S, Sosnick TR, Freed KF. Helix, sheet, and polyproline II frequencies and strong nearest neighbor effects in a restricted coil library. Biochemistry. 44: 9691-702. PMID 16008354 DOI: 10.1021/bi0474822  1
2005 Chaudhuri RK, Freed KF. Relativistic effective valence shell Hamiltonian method: excitation and ionization energies of heavy metal atoms. The Journal of Chemical Physics. 122: 204111. PMID 15945717 DOI: 10.1063/1.1906206  1
2005 Chaudhuri RK, Freed KF. Generation of potential energy curves for the X1Sigma(+)g, B1Delta(+)g, and B'1Sigma(+)g states of C2 using the effective valence shell Hamiltonian method. The Journal of Chemical Physics. 122: 154310. PMID 15945638 DOI: 10.1063/1.1879812  1
2005 Chaudhuri RK, Freed KF, Hose G, Piecuch P, Kowalski K, W?och M, Chattopadhyay S, Mukherjee D, Rolik Z, Szabados A, Tóth G, Surján PR. Comparison of low-order multireference many-body perturbation theories. The Journal of Chemical Physics. 122: 134105. PMID 15847453 DOI: 10.1063/1.1863912  1
2005 Shen MY, Freed KF. A simple method for faster nonbonded force evaluations. Journal of Computational Chemistry. 26: 691-8. PMID 15754302 DOI: 10.1002/jcc.20211  1
2005 Taylor CM, Chaudhuri RK, Freed KF. Electronic structure of the calcium monohydroxide radical. The Journal of Chemical Physics. 122: 44317. PMID 15740258 DOI: 10.1063/1.1834511  1
2005 Artyomov MN, Freed KF. Compressible models of equilibrium polymerization Journal of Chemical Physics. 123. DOI: 10.1063/1.2117047  1
2005 Dudowicz J, Freed KF, Douglas JF. Direct computation of characteristic temperatures and relaxation times for glass-forming polymer liquids Journal of Chemical Physics. 123. DOI: 10.1063/1.2035087  1
2005 Dudowicz J, Freed KF, Douglas JF. Fragility of glass-forming polymer liquids Journal of Physical Chemistry B. 109: 21350-21356. DOI: 10.1021/jp053693k  1
2005 Dudowicz J, Freed KF, Douglas JF. The glass transition temperature of polymer melts Journal of Physical Chemistry B. 109: 21285-21292. DOI: 10.1021/jp0523266  1
2005 Freed KF, Dudowicz J. Influence of monomer molecular structure on the miscibility of polymer blends Advances in Polymer Science. 183: 63-126. DOI: 10.1007/b135883  1
2005 Perrine TM, Chaudhuri RK, Freed KF. Quadratic Padé approximants and the intruder state problem of multireference perturbation methods International Journal of Quantum Chemistry. 105: 18-33. DOI: 10.1002/qua.20648  1
2005 Freed KF. Phase behaviour of polymer blends: Preface Advances in Polymer Science. 183: IX-X.  1
2004 Seok C, Freed KF, Szleifer I. Analytic density-functional self-consistent-field theory of diblock copolymers near patterned surfaces. The Journal of Chemical Physics. 120: 7174-82. PMID 15267625 DOI: 10.1063/1.1669372  1
2004 Buta D, Freed KF. Mixtures of lattice polymers with structured monomers. The Journal of Chemical Physics. 120: 6288-98. PMID 15267516 DOI: 10.1063/1.1652432  1
2004 Dudowicz J, Freed KF, Douglas JF. Flory-Huggins model of equilibrium polymerization and phase separation in the Stockmayer fluid. Physical Review Letters. 92: 045502. PMID 14995384 DOI: 10.1103/PhysRevLett.92.045502  1
2003 Zaman MH, Shen MY, Berry RS, Freed KF, Sosnick TR. Investigations into sequence and conformational dependence of backbone entropy, inter-basin dynamics and the Flory isolated-pair hypothesis for peptides. Journal of Molecular Biology. 331: 693-711. PMID 12899838 DOI: 10.1016/S0022-2836(03)00765-4  1
2003 Cui B, Shen MY, Freed KF. Folding and misfolding of the papillomavirus E6 interacting peptide E6ap. Proceedings of the National Academy of Sciences of the United States of America. 100: 7087-92. PMID 12771374 DOI: 10.1073/pnas.0431214100  1
2003 Fernández A, Shen MY, Colubri A, Sosnick TR, Berry RS, Freed KF. Large-scale context in protein folding: villin headpiece. Biochemistry. 42: 664-71. PMID 12534278 DOI: 10.1021/bi026510i  1
2003 Dudowicz J, Freed KF, Douglas JF. Lattice model of equilibrium polymerization. IV. Influence of activation, chemical initiation, chain scission and fusion, and chain stiffness on polymerization and phase separation Journal of Chemical Physics. 119: 12645-12666. DOI: 10.1063/1.1625642  1
2003 Freed KF. Influence of monomer molecular structure on the glass transition in polymers I. Lattice cluster theory for the configurational entropy Journal of Chemical Physics. 119: 5730-5739. DOI: 10.1063/1.1600716  1
2003 Chaudhuri RK, Freed KF. A critical analysis of the ground and excited electronic states of transition metal nitrides using the relativistic effective Hamiltonian method Journal of Chemical Physics. 119: 5995-6002. DOI: 10.1063/1.1600432  1
2003 Niranjan PS, Yim PB, Forbes JG, Greer SC, Dudowicz J, Freed KF, Douglas JF. The polymerization of actin: Thermodynamics near the polymerization line Journal of Chemical Physics. 119: 4070-4084. DOI: 10.1063/1.1592499  1
2003 Sun H, Freed KF. The effective valence shell Hamiltonian for spin-orbit coupling Journal of Chemical Physics. 118: 8281-8289. DOI: 10.1063/1.1566000  1
2003 Shen MY, Freed KF. Long time dynamics of Met-enkephalin: Tests of mode-coupling theory and implicit solvent models Journal of Chemical Physics. 118: 5143-5156. DOI: 10.1063/1.1544554  1
2003 Dudowicz J, Freed KF, Shen MY. Hydration structure of met-enkephalin: A molecular dynamics study Journal of Chemical Physics. 118: 1989-1995. DOI: 10.1063/1.1531612  1
2003 Zaman MH, Shen MY, Berry RS, Freed KF. Computer simulation of Met-enkephalin using explicit atom and united atom potentials: Similarities, differences, and suggestions for improvement Journal of Physical Chemistry B. 107: 1685-1691. DOI: 10.1021/jp026994s  1
2003 Freed KF. Influence of Frequency Shifts on Electron Transfer Processes Journal of Physical Chemistry B. 107: 10341-10343.  1
2002 Shen MY, Freed KF. All-atom fast protein folding simulations: the villin headpiece. Proteins. 49: 439-45. PMID 12402354 DOI: 10.1002/prot.10230  1
2002 Shen My MY, Freed KF. Long time dynamics of Met-enkephalin: comparison of explicit and implicit solvent models. Biophysical Journal. 82: 1791-808. PMID 11916839  1
2002 Dudowicz J, Freed KF, Douglas JF. Beyond Flory-Huggins theory: new classes of blend miscibility associated with monomer structural asymmetry. Physical Review Letters. 88: 095503. PMID 11864024 DOI: 10.1103/PhysRevLett.88.095503  1
2002 Lee S, Sun H, Kim B, Freed KF. Vector properties of S(3P) and S(1D) in the photodissociation of SH: Quantum interference and overlapping resonance Journal of Chemical Physics. 116: 10656-10663. DOI: 10.1063/1.1480005  1
2002 Buta D, Freed KF. Lattice polymers with structured monomers: A Monte Carlo study of thermodynamic properties of melts and solutions Journal of Chemical Physics. 116: 10959-10966. DOI: 10.1063/1.1478766  1
2002 Freed KF. Liquid-state theory derivation of surface accessible solvation potential models for proteins Journal of Chemical Physics. 116: 10475-10477. DOI: 10.1063/1.1477453  1
2002 Dudowicz J, Freed KF, Douglas JF. New patterns of polymer blend miscibility associated with monomer shape and size asymmetry Journal of Chemical Physics. 116: 9983-9996. DOI: 10.1063/1.1476696  1
2002 Bedrov D, Smith GD, Freed KF, Dudowicz J. A comparison of self-assembly in lattice and off-lattice model amphiphile solutions Journal of Chemical Physics. 116: 4765-4768. DOI: 10.1063/1.1461355  1
2002 Frielinghaus H, Schwahn D, Willner L, Freed KF. Small angle neutron scattering studies of a polybutadiene/polystyrene blend with small additions of ortho-dichloro-benzene for varying temperatures and pressures. II. Phase boundaries and Flory-Huggins parameter Journal of Chemical Physics. 116: 2241-2250. DOI: 10.1063/1.1429960  1
2002 Chaudhuri RK, Freed KF, Potts DM. The excited and ion states of Allene Acs Symposium Series. 828: 154-175.  1
2001 Niranjan PS, Forbes JG, Greer SC, Dudowicz J, Freed KF, Douglas JF. Thermodynamic regulation of actin polymerization Journal of Chemical Physics. 114: 10573-10576. DOI: 10.1063/1.1380693  1
2001 Frielinghaus H, Schwahn D, Dudowicz J, Freed KF, Foreman KW. Small-angle neutron scattering studies of polybutadiene/polystyrene blends as a function of pressure and microstructure: Comparison of experiment and theory Journal of Chemical Physics. 114: 5016-5025. DOI: 10.1063/1.1350443  1
2001 Lee S, Sun H, Kim B, Freed KF. Quantum interference and asymptotic interactions in the photodissociation of SH: Total cross section and branching ratios Journal of Chemical Physics. 114: 5537-5544. DOI: 10.1063/1.1349548  1
2001 Potts DM, Taylor CM, Chaudhuri RK, Freed KF. Improved virtual orbital-complete active space configuration interaction method, a `packageable' efficient ab initio many-body method for describing electronically excited states Journal of Chemical Physics. 114: 2592-2600. DOI: 10.1063/1.1337053  1
2001 Buta D, Freed KF, Szleifer I. Monte Carlo test of the lattice cluster theory: Thermodynamic properties of binary polymer blends Journal of Chemical Physics. 114: 1424-1431. DOI: 10.1063/1.1333024  1
2001 Chaudhuri RK, Freed KF, Abrash SA, Potts DM. A critical comparison of theoretical and experimental electronic spectrum and potential energy curves of HF molecule and its positive and negative ions Journal of Molecular Structure: Theochem. 547: 83-96. DOI: 10.1016/S0166-1280(01)00461-4  1
2001 Dudowicz J, Freed KF. Lattice cluster theory for copolymer blends: General theory in the incompressible system, long chain limit Polish Journal of Chemistry. 75: 527-545.  1
2000 Dudowicz J, Freed KF, Douglas JF. Lattice model of living polymerization. III. Evidence for particle clustering from phase separation properties and 'rounding' of the dynamical clustering transition Journal of Chemical Physics. 113: 434-446. DOI: 10.1063/1.481808  1
2000 Chaudhuri RK, Majumder S, Freed KF. Determination of conformational energy differences of propynlidyne isomers using the effective valence shell Hamiltonian method Journal of Chemical Physics. 112: 9301-9309. DOI: 10.1063/1.481551  1
2000 Dudowicz J, Freed KF. Lattice cluster theory for pedestrian. 2. Random copolymer systems Macromolecules. 33: 3467-3477. DOI: 10.1021/ma991747g  1
2000 Dudowicz J, Freed KF. Explanation for the inversion of an UCST phase diagram to a LCST diagram in binary polybutadiene blends Macromolecules. 33: 9777-9781. DOI: 10.1021/ma001363m  1
2000 Dudowicz J, Freed KF. Explanation for the unusual phase behavior of polystyrene-b-poly(n-alkyl methacrylate) diblock copolymers: specific interactions Macromolecules. 33: 5292-5299. DOI: 10.1021/ma000232i  1
2000 Freed KF, Dudowicz J. Lattice cluster theory for pedestrians: Models for random copolymer blends Macromolecular Symposia. 149: 11-16.  1
2000 Seok C, Freed KF, Szleifer I. Polymer melts and polymer solutions near patterned surfaces Journal of Chemical Physics. 112: 6443-6451.  1
2000 Seok C, Freed KF, Szleifer I. Polymer blends near patterned surfaces Journal of Chemical Physics. 112: 6452-6460.  1
2000 He Z, Martin CH, Birge R, Freed KF. Theoretical studies on excited states of a phenolate anion in the environment of photoactive yellow protein Journal of Physical Chemistry A. 104: 2939-2952.  1
2000 Buta D, Freed KF, Szleifer I. Thermodynamic properties of lattice polymers: Monte Carlo simulations and mean-field theories Journal of Chemical Physics. 112: 6040-6048.  1
2000 Dudowicz J, Freed KF, Douglas JF. Lattice model of living polymerization. II. Interplay between polymerization and phase stability Journal of Chemical Physics. 112: 1002-1010.  1
1999 Kostov KS, Freed KF. Long-time dynamics of Met-enkephalin: comparison of theory with Brownian dynamics simulations. Biophysical Journal. 76: 149-63. PMID 9876130 DOI: 10.1016/S0006-3495(99)77185-7  1
1999 Delfolie C, Dickinson LC, Freed KF, Dudowicz J, MacKnight WJ. Molecular factors affecting the miscibility behavior of cycloolefin copolymers Macromolecules. 32: 7781-7789. DOI: 10.1021/ma990580o  1
1999 Dudowicz J, Freed KF, Douglas JF. Lattice model of living polymerization. I. Basic thermodynamic properties Journal of Chemical Physics. 111: 7116-7130.  1
1998 Dudowicz J, Freed KF. Molecular Influences on Miscibility Patterns in Random Copolymer/Homopolymer Binary Blends. Macromolecules. 31: 5094-104. PMID 9680450 DOI: 10.1021/ma971330f  1
1998 Chaudhuri RK, Stevens JE, Freed KF. Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method Journal of Chemical Physics. 109: 9685-9693. DOI: 10.1063/1.477638  1
1998 Foreman KW, Freed KF. Lattice cluster theory of multicomponent polymer systems: Chain semiflexibility and specific interactions Advances in Chemical Physics. 103: 335-390.  1
1998 Freed KF, Dudowicz J. Lattice cluster theory for pedestrians: The incompressible limit and the miscibility of polyolefin blends Macromolecules. 31: 6681-6690.  1
1998 Kostov KS, Freed KF, Webb EB, Mondello M, Grest GS. Dynamics of linear and branched alkane melts: Molecular dynamics test of theory for long time dynamics Journal of Chemical Physics. 108: 9155-9167.  1
1998 Tang WH, Kostov KS, Freed KF. Theory for the nonequilibrium dynamics of flexible chain molecules: Relaxation to equilibrium of pentadecane from an all-trans conformation Journal of Chemical Physics. 108: 8736-8742.  1
1998 Freed KF, Dudowicz J, Foreman KW. Molecular mechanisms for disparate miscibilities of poly(propylene) and head-to-head poly(propylene) with other polyolefins Journal of Chemical Physics. 108: 7881-7886.  1
1998 Chaudhuri RK, Das BP, Freed KF. Application of the effective valence shell Hamiltonian method to accurate estimation of oscillator strengths and excitation energies of Mg-like ions Journal of Chemical Physics. 108: 2556-2562.  1
1997 Foreman KW, Freed KF. Influence of stiffness, monomer structure, and energetic asymmetries on polymer blend miscibilities: Applications to polyolefins Macromolecules. 30: 7279-7295.  1
1997 Chaudhuri RK, Freed KF. Comparison of high order perturbative convergence of multireference perturbation methods: Application to singlet states of CH2 Journal of Chemical Physics. 107: 6699-6711.  1
1997 Foreman KW, Freed KF, Ngola IM. Nonrandom mixing in polymer blends: Implications for phase behavior Journal of Chemical Physics. 107: 4688-4704.  1
1997 Dudowicz J, Freed KF. Energetically driven asymmetries in random copolymer miscibilities and their pressure dependence Macromolecules. 30: 5506-5519.  1
1997 Grinberg H, Freed KF, Williams CJ. Three-dimensional infinite order sudden quantum theory for indirect photodissociation processes. Application to the photofragment yield spectrum of NOCI in the region of the T1(13A″) ←S0(11A′) transition. Fragment rotational distributions and thermal averages Journal of Chemical Physics. 107: 1849-1860.  1
1997 Grinberg H, Freed KF, Williams CJ. Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes Journal of Chemical Physics. 107: 1835-1848.  1
1997 Chaudhuri RK, Mudholkar A, Freed KF, Martin CH, Sun H. Application of the effective valence shell Hamiltonian method to accurate estimation of valence and Rydberg states oscillator strengths and excitation energies for π electron systems Journal of Chemical Physics. 106: 9252-9264.  1
1997 Foreman KW, Freed KF. Microscopic parameters influencing the phase separation in compressible binary blends of linear semiflexible polymers Journal of Chemical Physics. 106: 7422-7437.  1
1997 Douglas JF, Freed KF. Modification of continuum chain model of surface-interacting polymers to describe the crossover between weak and strong adsorption Macromolecules. 30: 1813-1817.  1
1997 Chaudhuri RK, Finley JP, Freed KF. Comparison of the perturbative convergence with multireference Möller-Plesset, Epstein-Nesbet, forced degenerate and optimized zeroth order partitionings: The excited BeH2 surface Journal of Chemical Physics. 106: 4067-4081.  1
1997 Kostov KS, Freed KF. Mode coupling theory for calculating the memory functions of flexible chain molecules: Influence on the long time dynamics of oligoglycines Journal of Chemical Physics. 106: 771-783.  1
1996 Finley JP, Chaudhuri RK, Freed KF. Convergence behavior of multireference perturbation theory: Forced degeneracy and optimization partitioning applied to the beryllium atom. Physical Review. A. 54: 343-356. PMID 9913484  1
1996 Freed KF, Dudowicz J. Molecular modeling of phase behavior of polymer blends Macromolecular Symposia. 112: 17-24.  1
1996 Guenza M, Freed KF. Extended rotational isomeric model for describing the long time dynamics of polymers Journal of Chemical Physics. 105: 3823-3837.  1
1996 Lee SY, Freed KF. Ab initio study of cis-butadiene valence and Rydberg states using the effective valence shell Hamiltonian method Journal of Chemical Physics. 104: 3260-3275.  1
1996 Chang XY, Freed KF. Theory for long time polymer and protein dynamics: Tests for all-atom models of alkane dynamics Journal of Chemical Physics. 104: 3092-3110.  1
1996 Dudowicz J, Freed KF. Influence of monomer structure and interaction asymmetries on the miscibility and interfacial properties of polyolefin blends Macromolecules. 29: 8960-8972.  1
1996 Freed KF. Analytic theory of surface segregation in compressible polymer blends Journal of Chemical Physics. 105: 10572-10582.  1
1996 Cherayil BJ, Freed KF. The concentration dependent cooperative friction coefficient of dilute polymer solutions at the theta point Journal of Chemical Physics. 104: 5983-5996.  1
1996 Stevens JE, Chaudhuri RK, Freed KF. Global three-dimensional potential energy surfaces of H2S from the ab initio effective valence shell Hamiltonian method Journal of Chemical Physics. 105: 8754-8768.  1
1996 Brazhnik OD, Freed KF. Application of graph theory to the statistical thermodynamics of lattice polymers. I. Elements of theory and test for dimers Journal of Chemical Physics. 105: 837-861.  1
1996 Dudowicz J, Freed KF. Molecular origin of the free energy dependence on the monomer sequence in random copolymer systems Macromolecules. 29: 7826-7827.  1
1996 Lifschitz M, Freed KF. Interfacial behavior of phase separated asymmetric compressible binary polymer blends Journal of Chemical Physics. 105: 1633-1645.  1
1996 Martin CH, Freed KF. Ab initio computation of semiempirical π-electron methods. V. Geometry dependence of Hv π-electron effective integrals Journal of Chemical Physics. 105: 1437-1450.  1
1996 Freed KF, Dudowicz J. Influence of short chain branching on the miscibility of binary polymer blends: Application to polyolefin mixtures Macromolecules. 29: 625-636.  1
1995 Tang WH, Chang XY, Freed KF. Theory for long time polymer and protein dynamics: Basis functions and time correlation functions The Journal of Chemical Physics. 103: 9492-9501.  1
1995 Finley JP, Freed KF. Application of complete space multireference many-body perturbation theory to N2: Dependence on reference space and H0 The Journal of Chemical Physics. 102: 1306-1333.  1
1995 Foreman KW, Freed KF. Generalizations of Huggins-Guggenheim-Miller-type theories to describe the architecture of branched lattice chains The Journal of Chemical Physics. 102: 4663-4672.  1
1995 Freed KF. Interrelation between density functional and self-consistent-field formulations for inhomogeneous polymer systems The Journal of Chemical Physics. 103: 3230-3239.  1
1995 Finley JP, Chaudhuri RK, Freed KF. Applications of multireference perturbation theory to potential energy surfaces by optimal partitioning of H: Intruder states avoidance and convergence enhancement The Journal of Chemical Physics. 103: 4990-5010.  1
1995 Martin CH, Freed KF. Ab initio computation of semiempirical π-electron methods. 4. True and approximate effective hamiltonians for hexatriene and related conjugated polyenes Journal of Physical Chemistry. 99: 2701-2716.  1
1995 Hu Y, Kostov K, Perico A, Smithline S, Freed KF. Extended molecular dynamics and optimized Rouse-Zimm model studies of a short peptide: Various friction approximations The Journal of Chemical Physics. 103: 9091-9100.  1
1995 Lifschitz M, Freed KF, Tang H. Hyperbolic tangent variational approximation for interfacial profiles of binary polymer blends The Journal of Chemical Physics. 103: 3767-3781.  1
1995 Freed KF, Douglas JF. Response to "draining in dilute polymer solutions and renormalization", Macromolecules 1995, 28, 4039 Macromolecules. 28: 8460-8461.  1
1993 Merkle G, Burchard W, Freed KF, Gao J. Osmotic pressure of linear, star, and ring polymers in semidilute solution. A comparison between experiment and theory Macromolecules. 26: 2736-2742.  1
1992 Nemirovsky AM, Dudowicz J, Freed KF. Dense self-interacting lattice trees with specified topologies: From light to dense branching. Physical Review. A. 45: 7111-7127. PMID 9906784  0.64
1992 Zeng XC, Oxtoby DW, Tang H, Freed KF. On square-gradient theories of polymer blend interfaces The Journal of Chemical Physics. 96: 4816-4817.  1
1989 Freed KF, Sarre PJ, Whitham CJ, Williams CJ. Close-coupled calculations of resonance widths observed in photodissociation spectra of CH+ The Journal of Chemical Physics. 90: 6070-6076.  1
1989 Singer SJ, Lee S, Freed KF. Incorporating advantages of time-dependent dynamics in time-independent collision methods: Early asymptotic analysis The Journal of Chemical Physics. 91: 240-249.  1
1987 Nemirovsky AM, Wang ZG, Freed KF. Crossover renormalization-group approach to semi-infinite inhomogeneous critical behavior. Physical Review. B, Condensed Matter. 36: 3755-3762. PMID 9943311 DOI: 10.1103/PhysRevB.36.3755  0.64
1987 Williams CJ, Freed KF. Low-energy atomic scattering of ground-state C+(2P) ions by atomic hydrogen: Role of non-adiabatic couplings and resonances in elastic and inelastic processes Journal of Physics B: Atomic and Molecular Physics. 20: 5737-5752. DOI: 10.1088/0022-3700/20/21/021  1
1987 Band YB, Freed KF, Singer SJ, Williams CJ. Nonadiabatic effects on the photodissociation of diatomic molecules to open-shell atoms Journal of Physical Chemistry. 91: 5402-5409. DOI: 10.1021/j100305a005  1
1987 Singer SJ, Lee S, Freed KF, Band YB. Multichannel quantum theory for propagation of second order transition amplitudes The Journal of Chemical Physics. 87: 4762-4778.  1
1986 Nemirovsky AM, Wang ZG, Freed KF. Two coupled semi-infinite systems near criticality. Physical Review. B, Condensed Matter. 34: 7886-7895. PMID 9939473 DOI: 10.1103/PhysRevB.34.7886  0.64
1986 Williams CJ, Freed KF, Singer SJ, Band YB. Non-adiabatic effects on the photodissociation of diatomic molecules to open-shell atoms: Resonances, polarizations and angular distributions for the CH+ model systems Faraday Discussions of the Chemical Society. 82: 51-66. DOI: 10.1039/DC9868200051  1
1986 Williams CJ, Freed KF. Spectroscopy of low-energy non-adiabatic resonances in photodissociation to open-shell atoms: CH+, a model system Chemical Physics Letters. 127: 360-366. DOI: 10.1016/0009-2614(86)80296-2  1
1985 Nemirovsky AM, Freed KF. Surface-interaction exponents for surface susceptibility: Renormalization-group crossover for chi 1. Physical Review. B, Condensed Matter. 31: 3161-3165. PMID 9936187  0.64
1985 Band YB, Freed KF, Singer SJ. Orientation, alignment, and hyperfine effects on dissociation of diatomic molecules to open shell atoms The Journal of Chemical Physics. 84: 3762-3770.  1
1984 Kholodenko AL, Freed KF. Reply to the comment on "effective mass of the fröhlich polaron" Physical Review B. 29: 3711. DOI: 10.1103/PhysRevB.29.3711  1
1984 Kholodenko AL, Freed KF. Conformational space renormalisation group theory of 'tricritical' (theta point) exponents for a polymer chain Journal of Physics a: General Physics. 17. DOI: 10.1088/0305-4470/17/4/007  1
1984 Kholodenko AL, Freed KF. Diffusion in random media as a problem of interacting Bose and Fermi fields Journal of Physics a: Mathematical and General. 17. DOI: 10.1088/0305-4470/17/2/006  1
1984 Kholodenko AL, Freed KF. Coil-globule transition: Comparison of field theoretic and conformational space formulations Journal of Physics a: Mathematical and General. 17: 2703-2727. DOI: 10.1088/0305-4470/17/13/022  1
1984 Singer SJ, Freed KF, Band YB. Low-energy resonances in photodissociation of CH+ Chemical Physics Letters. 105: 158-162. DOI: 10.1016/0009-2614(84)85640-7  1
1984 Struve WS, Singer SJ, Freed KF. Photodissociation of homonuclear diatomics: Fine structure cross sections for Na2(X1Σg +) → Na(2S1/2) + Na(2P1/2,3/2 Chemical Physics Letters. 110: 588-592. DOI: 10.1016/0009-2614(84)85468-8  1
1984 Singer SJ, Freed KF, Band YB. Cross sections and angular distributions for individual fragment fine structure levels produced in one- and two-photon photodissociation of NaH The Journal of Chemical Physics. 81: 3091-3101.  1
1984 Singer SJ, Freed KF, Band YB. Dissociation of a diatomic molecule to atomic fine structure states: Electronically nonadiabatic effects upon resonant two-photon dissociation The Journal of Chemical Physics. 81: 3064-3090.  1
1983 Kholodenko AL, Freed KF. Direct path-integral treatment of the polaron problem Physical Review B. 27: 4586-4600. DOI: 10.1103/PhysRevB.27.4586  1
1983 Freed KF, Kholodenko AL. Renormalization group description of polymer excluded volume Journal of Statistical Physics. 30: 437-447. DOI: 10.1007/BF01012317  1
1983 Cukier RI, Freed KF. Diffusion controlled processes among stationary reactive sinks: Effective medium approach The Journal of Chemical Physics. 78: 2573-2578.  1
1983 Singer SJ, Freed KF, Band YB. Theory of diatomic molecule photodissociation: Electronic angular momentum influence on fragment and fluorescence cross sections The Journal of Chemical Physics. 79: 6060-6085.  1
1983 Lee YS, Freed KF, Sun H, Yeager DL. The correlated pi-Hamiltonian of trans-butadiene as calculated by the ab initio effective valence shell Hamiltonian method: Comparison with semiempirical models The Journal of Chemical Physics. 79: 3862-3873.  1
1982 Ohta T, Oono Y, Freed KF. Static-coherent-scattering function for a single polymer chain: Conformational space renormalization of polymers. V Physical Review A. 25: 2801-2811. DOI: 10.1103/PhysRevA.25.2801  1
1982 Singer SJ, Freed KF, Band YB. Electronic angular momentum effects on photodissociation: fine structure cross sections and angular distributions for NaH → Na(2P 1 2, 3 2) + H(2S 1 2) Chemical Physics Letters. 91: 12-16. DOI: 10.1016/0009-2614(82)87022-X  1
1982 Freed KF, Levy M. Direct first principles algorithm for the universal electron density functional The Journal of Chemical Physics. 77: 396-398.  1
1982 Singer S, Freed KF, Band YB. Invariant imbedding solution of driven (inhomogeneous) and homogeneous Schrödinger equations The Journal of Chemical Physics. 77: 1942-1950.  1
1982 Herman MF, Freed KF. Nonadiabatic semiclassical scattering: Atom-diatom collisions in self-consistent matrix propagator formalism The Journal of Chemical Physics. 78: 6010-6020.  1
1981 Sun H, Sheppard MG, Freed KF, Herman MF. First principles test of transferability hypothesis of semi-empirical theories using correlated ab initio effective valence shell hamiltonian methods Chemical Physics Letters. 77: 555-561. DOI: 10.1016/0009-2614(81)85206-2  1
1981 Sheppard MG, Freed KF. Effective many-body interactions in exact valence-shell hamiltonians Chemical Physics Letters. 82: 235-241. DOI: 10.1016/0009-2614(81)85146-9  1
1981 Morse MD, Freed KF. Rotational and angular distributions from photodissociations. III. Effects of dynamic axis switching in linear triatomic molecules The Journal of Chemical Physics. 74: 4395-4417.  1
1980 Freed KF, Herman MF, Yeager DL. Critical comparison between equation of motion-green’s function methods and configuration interaction methods: Analysis of methods and applications Physica Scripta. 21: 242-250. DOI: 10.1088/0031-8949/21/3-4/005  1
1980 Yeager DL, Sheppard MG, Freed KF. One-center integrals of the exact effective valence shell Hamiltonian. Empirical analysis for atoms Journal of the American Chemical Society. 102: 1270-1277.  1
1980 Herman MF, Freed KF, Yeager DL, Liu B. Critical test of equation-of-motion-Green's function methods. II. Comparison with configuration interaction results The Journal of Chemical Physics. 72: 611-620.  1
1980 Herman MF, Freed KF, Yeager DL. Critical test of equation-of-motion-Green's function methods. I. Theory of higher order terms The Journal of Chemical Physics. 72: 602-610.  1
1980 Sun H, Freed KF, Herman MF, Yeager DL. Ab initio effective valence shell Hamiltonian for the neutral and ionic valence states of N, O, F, Si, P, and S The Journal of Chemical Physics. 72: 4158-4173.  1
1979 Freed KF, Morse MD, Band YB. State-to-state photochemical reaction dynamics in polyatomic molecules Faraday Discussions of the Chemical Society. 67: 297-305. DOI: 10.1039/DC9796700297  1
1979 Herman MF, Freed KF. Analysis of approximations and errors in equations of motion method calculations Chemical Physics. 36: 383-396. DOI: 10.1016/0301-0104(79)85022-3  1
1979 Sheppard MG, Freed KF, Herman MF, Yeager DL. Generalized perturbation theory of effective valence shell hamiltonians Chemical Physics Letters. 61: 577-582. DOI: 10.1016/0009-2614(79)87176-6  1
1979 Band YB, Morse MD, Freed KF. Fragment angular distributions from photodissociation of polyatomic molecules Chemical Physics Letters. 67: 294-298. DOI: 10.1016/0009-2614(79)85165-9  1
1978 Fung KH, Freed KF. Franck-Condon theory of reactive scattering Chemical Physics. 30: 249-267. DOI: 10.1016/0301-0104(78)85123-4  1
1978 Herman MF, Freed KF, Yeager DL. Shake-up peak positions and intensities by many-body theory methods Chemical Physics. 32: 437-449. DOI: 10.1016/0301-0104(78)85025-3  1
1978 Yeager DL, Sun H, Freed KF, Herman MF. Ab initio calculation of the effective valence shell hamiltonian of carbon: Simultaneous treatment of neutral and ion states Chemical Physics Letters. 57: 490-495. DOI: 10.1016/0009-2614(78)85305-6  1
1978 Muthukumar M, Freed KF. Viscosity of random coil polymers with nonzero thickness Chemical Physics Letters. 58: 628-632. DOI: 10.1016/0009-2614(78)80035-9  1
1977 Metiu H, Oxtoby DW, Freed KF. Hydrodynamic theory for vibrational relaxation in liquids Physical Review A. 15: 361-371. DOI: 10.1103/PhysRevA.15.361  1
1977 Yeager DL, Freed KF. Analysis of third order contributions to equations of motion-Green's function excitation energies: application to N2 Chemical Physics. 22: 415-433. DOI: 10.1016/0301-0104(77)89028-9  1
1977 Freed KF, Yeager DL. A wavefunction approach to equations of motion-Green's function methods Chemical Physics. 22: 401-414. DOI: 10.1016/0301-0104(77)89027-7  1
1977 Laing JR, Freed KF. A semiclassical magnus approximation to coupled space-time-dependent scattering equations Chemical Physics. 19: 91-117. DOI: 10.1016/0301-0104(77)80008-6  1
1977 Morse MD, Freed KF, Band YB. Photodissociation: isotope effects and comparisons between theory and experiment Chemical Physics Letters. 49: 399-404. DOI: 10.1016/0009-2614(77)87001-2  1
1977 Herman MF, Yeager DL, Freed KF, McKoy V. Critical analysis of equations-of-motion-Green's function method: Ionization potentials of N2 Chemical Physics Letters. 46: 1-7. DOI: 10.1016/0009-2614(77)85152-X  1
1977 Freed KF, Yeager DL, Metiu H. Rotational mechanism for vibrational relaxation in rigid media. Interaction potentials Chemical Physics Letters. 49: 19-23. DOI: 10.1016/0009-2614(77)80433-8  1
1976 Tsui FSM, Freed KF. Response function theory of electron correlation Chemical Physics. 14: 27-51. DOI: 10.1016/0301-0104(76)80026-2  1
1976 Morse MD, F.Freed K, Band YB. Rotational distributions in photodissociation: application to ICN Chemical Physics Letters. 44: 125-130. DOI: 10.1016/0009-2614(76)80425-3  1
1975 Laing JR, Freed KF. Semiclassical limit of multichannel scattering theory Physical Review Letters. 34: 849-852. DOI: 10.1103/PhysRevLett.34.849  1
1975 Tsui FSM, Freed KF. Comparison between equations-of-motion and green's function methods for the particle-hole response function Chemical Physics Letters. 32: 345-350. DOI: 10.1016/0009-2614(75)85141-4  1
1974 Tsui FSM, Freed KF. Relationship between one-electron green's function and quantum chemical theories Chemical Physics. 5: 337-349. DOI: 10.1016/0301-0104(74)85037-8  1
1974 Prais MG, Heller DF, Freed KF. Nonradiative decay processes in benzene Chemical Physics. 6: 331-352. DOI: 10.1016/0301-0104(74)85019-6  1
1974 Freed KF, Heller DF. Pressure dependence of electronic relaxation: A stochastic model The Journal of Chemical Physics. 61: 3942-3953.  1
1973 Barg GD, Fremerey H, Toennies JP, Balint-Kurti GG, Johnson BR, Pattengill MD, Polanyi JC, Marcus RA, Gilbert RG, George TF, Bosanac S, Simons JP, Freed KF, Miller WH, Schreiber JL, et al. General discussion Faraday Discussions of the Chemical Society. 55: 59-79. DOI: 10.1039/DC9735500059  1
1973 Heller DF, Freed KF, Gelbart WM. The role of accepting modes in the theory of nonradiative transitions Chemical Physics Letters. 23: 56-62. DOI: 10.1016/0009-2614(73)89563-6  1
1972 Heller DF, Freed KF. Energy dependence of nonradiative decay in polyatomic molecules International Journal of Quantum Chemistry. 6: 267-277. DOI: 10.1002/qua.560060628  1
1970 Gelbart WM, Spears KG, Freed KF, Jortner J, Rice SA. Boltzmann statistics and radiationless decay in large molecules: Optical selection studies Chemical Physics Letters. 6: 345-351. DOI: 10.1016/0009-2614(70)85092-8  1
1966 Freed KF, Lombardi JR. Considerations on the Rotation-Vibration of Triatomic Molecules Journal of Chemical Physics. 45: 591-598. DOI: 10.1063/1.1727613  1
Show low-probability matches.