☰

Morris Krauss - Publications

Affiliations: 
National Bureau of Standards, Gaithersburg, MD, United States 
Area:
Molecular Spectroscopy
Website:
http://www.scs.illinois.edu/~mainzv/Web_Genealogy/Info/kraussm.pdf
Tree Info Similar researchers PubMed Report error

87 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
2004 Lee YS, Krauss M. Dynamics of proton transfer in bacteriorhodopsin. Journal of the American Chemical Society. 126: 2225-30. PMID 14971958 DOI: 10.1021/Ja036115V  0.301
2004 Lee Y, Krauss M. Structure and Reaction in the Active Site of Mammalian Adenylyl Cyclase Journal of Physical Chemistry B. 108: 4508-4515. DOI: 10.1021/Jp036564H  0.313
2004 Lee Y, Krauss M. Reversible proton transfer dynamics in bacteriorhodopsin Journal of Molecular Structure. 700: 243-246. DOI: 10.1016/J.Molstruc.2004.02.004  0.303
2003 Wladkowski BD, Ostazeski P, Chenoweth S, Broadwater SJ, Krauss M. Hydrolysis of cyclic phosphates by ribonuclease A: a computational study using a simplified ab initio quantum model. Journal of Computational Chemistry. 24: 1803-11. PMID 12964199 DOI: 10.1002/Jcc.10331  0.338
2003 Krauss M, Stevens WJ. Comparative electronic structure of a lanthanide and actinide diatomic oxide: Nd versus U Molecular Physics. 101: 125-130. DOI: 10.1080/00268970210159433  0.356
2003 Worthington SE, Roitberg AE, Krauss M. Kinetic isotope effects in the active site of B. subtilis chorismate mutase International Journal of Quantum Chemistry. 94: 287-292. DOI: 10.1002/Qua.10641  0.351
2001 Richter U, Krauss M. Active site structure and mechanism of human glyoxalase I-an ab initio theoretical study. Journal of the American Chemical Society. 123: 6973-82. PMID 11459475 DOI: 10.1021/Ja0105966  0.313
2001 Worthington SE, Krauss M. The Claisen Rearrangement of an Unusual Substrate in Chorismate Mutase Journal of Physical Chemistry B. 105: 7096-7098. DOI: 10.1021/Jp010228O  0.338
2001 Worthington SE, Roitberg AE, Krauss M. An MD/QM study of the chorismate mutase-catalyzed Claisen rearrangement reaction Journal of Physical Chemistry B. 105: 7087-7095. DOI: 10.1021/Jp010227W  0.333
2000 Worthington SE, Krauss M. Effective fragment potentials and the enzyme active site. Computers & Chemistry. 24: 275-85. PMID 10815997 DOI: 10.1016/S0097-8485(99)00066-2  0.363
1999 Gilson HSR, Krauss M. Structure and Spectroscopy of Metallo-Lactamase Active Sites Journal of the American Chemical Society. 121: 6984-6989. DOI: 10.1021/Ja990459X  0.389
1998 Monks PS, Stief LJ, Krauss M, Kuo SD, Zhang Z, Klemm RB. Comment on “A study of HeI photoelectron spectroscopy on the electronic structure of the nitrate free radical NO3” [J. Chem. Phys. 106, 3003 (1997)] Journal of Chemical Physics. 108: 1292-1292. DOI: 10.1063/1.475492  0.369
1998 Krauss M. Electronic structure and spectra of oxovanadium silicate Journal of Molecular Structure-Theochem. 458: 73-79. DOI: 10.1016/S0166-1280(98)00351-0  0.425
1998 Krauss M, Wladkowski BD. Vanadate complex spectroscopy at the RNase A active site International Journal of Quantum Chemistry. 69: 11-19. DOI: 10.1002/(Sici)1097-461X(1998)69:1<11::Aid-Qua3>3.0.Co;2-#  0.372
1997 Krauss M, Webb SP. Solvation and the excited states of formamide The Journal of Chemical Physics. 107: 5771. DOI: 10.1063/1.474336  0.398
1996 Mies FH, Williams CJ, Julienne PS, Krauss M. Estimating Bounds on Collisional Relaxation Rates of Spin-Polarized (87)Rb Atoms at Ultracold Temperatures. Journal of Research of the National Institute of Standards and Technology. 101: 521-535. PMID 27805105 DOI: 10.6028/Jres.101.052  0.302
1996 Day PN, Jensen JH, Gordon MS, Webb SP, Stevens WJ, Krauss M, Garmer D, Basch H, Cohen D. An effective fragment method for modeling solvent effects in quantum mechanical calculations The Journal of Chemical Physics. 105: 1968–1986. DOI: 10.1063/1.472045  0.364
1995 Krauss M. Effective fragment potentials and spectroscopy at enzyme active sites Computational Biology and Chemistry. 19: 33-38. PMID 7735701 DOI: 10.1016/0097-8485(94)00046-H  0.339
1995 Wladkowski BD, Krauss M, Stevens WJ. Ribonuclease A catalyzed transphosphorylation: An ab initio theoretical study The Journal of Physical Chemistry. 99: 6273-6276. DOI: 10.1021/J100017A004  0.34
1995 Krauss M, Osman R. Electronic spectra of H and OH adducts to benzene Chemical Physics Letters. 239: 258-262. DOI: 10.1016/0009-2614(95)00463-E  0.39
1995 Gresh N, Stevens WJ, Krauss M. Mono- and poly-ligated complexes of Zn2+: Anab initio analysis of the metal-ligand interaction energy Journal of Computational Chemistry. 16: 843-855. DOI: 10.1002/Jcc.540160704  0.325
1994 Monks PS, Stief LJ, Krauss M, Kuo SC, Klemm RB. A Discharge Flow-Photoionization Mass Spectrometric Study Of Hobr(X 1A') :Photoion Yield Spectrum, Ionization Energy, And Thermochemistry Journal of Chemical Physics. 100: 1902-1907. DOI: 10.1063/1.466543  0.351
1994 Krauss M, Roszak S. Excited states of the phenyl radical Journal of Molecular Structure. 310: 155-160. DOI: 10.1016/S0022-2860(10)80065-1  0.413
1994 Krauss M. The electronic excited states of the H-bonded complex of the phenol cation and water Journal of Molecular Structure-Theochem. 307: 47-54. DOI: 10.1016/0166-1280(94)80116-9  0.407
1993 Garmer DR, Krauss M. Ab initio quantum chemical study of the cobalt d-d spectroscopy of several substituted zinc enzymes Journal of the American Chemical Society. 115: 10247-10257. DOI: 10.1021/Ja00075A046  0.329
1993 Monks PS, Stief LJ, Krauss M, Kuo SC, Klemm RB. A discharge-flow photoionization mass-spectrometric study of the BrO (X 2Π) radical. Photoionization spectrum and ionization energy Chemical Physics Letters. 211: 416-420. DOI: 10.1016/0009-2614(93)87083-F  0.373
1992 Stevens WJ, Krauss M, Basch H, Jasien PG. Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms Canadian Journal of Chemistry. 70: 612-630. DOI: 10.1139/V92-085  0.366
1992 Krauss M, Basch H. Is the vanadate anion an analog of the transition state of RNAse A Journal of the American Chemical Society. 114: 3630-3634. DOI: 10.1021/Ja00036A008  0.329
1992 Garmer DR, Krauss M. Cobalt spectroscopy and the structure of the active site of carbonic anhydrase International Journal of Quantum Chemistry. 42: 1469-1477. DOI: 10.1002/Qua.560420521  0.316
1991 Basch H, Krauss M, Stevens WJ. Comparison of the electronic structure of the P-O and P-S bonds Journal of Molecular Structure-Theochem. 235: 277-291. DOI: 10.1016/0166-1280(91)85106-H  0.309
1990 McCarthy SL, Hinde RJ, Miller KJ, Anderson JS, Basch H, Krauss M. Theoretical studies of cis-Pt(II)-diammine binding to duplex DNA. Biopolymers. 29: 823-36. PMID 2383646 DOI: 10.1002/Bip.360290416  0.312
1990 McCarthy SL, Hinde RJ, Miller KJ, Anderson JS, Basch H, Krauss M. The binding of substituted cis-Pt(II)-diammines to duplex DNA. Biopolymers. 29: 785-90. PMID 2383643 DOI: 10.1002/Bip.360290412  0.321
1990 Miller KJ, McCarthy SL, Krauss M. Binding of cis(1,2-diaminocyclohexane)platinum(II) and its derivatives to duplex DNA. Journal of Medicinal Chemistry. 33: 1043-6. PMID 2308136 DOI: 10.1021/Jm00165A025  0.307
1989 Krauss M, Guillot B. Dipole moments in rare gas interactions Chemical Physics Letters. 158: 142-144. DOI: 10.1016/0009-2614(89)87308-7  0.34
1989 Basch H, Garmer DR, Jasien PG, Krauss M, Stevens WJ. Electrical properties of nucleic acid bases Chemical Physics Letters. 163: 514-522. DOI: 10.1016/0009-2614(89)85179-6  0.344
1987 Basch H, Krauss M, Stevens WJ. Cation binding effect on imidazole tautomerism International Journal of Quantum Chemistry. 31: 405-415. DOI: 10.1002/Qua.560310311  0.362
1986 Basch H, Krauss M, Stevens WJ. Electronic structure of diammine(ascorbato)platinum(II) and the trans influence on the ligand dissociation energy Inorganic Chemistry. 25: 4777-4779. DOI: 10.1021/Ic00246A038  0.315
1986 Jasien PG, Stevens WJ, Krauss M. Ab initio calculations of the rotational barriers in formamide and acetamide: The effects of polarization functions and correlation Journal of Molecular Structure-Theochem. 139: 197-206. DOI: 10.1016/0166-1280(86)87036-1  0.366
1985 Krauss M, Stevens WJ, Basch H. Relativistic effective potential SCF calculations of AgH and AuH Journal of Computational Chemistry. 6: 287-295. DOI: 10.1002/Jcc.540060405  0.373
1984 Stevens WJ, Basch H, Krauss M. Compact effective potentials and efficient shared‐exponent basis sets for the first‐ and second‐row atoms Journal of Chemical Physics. 81: 6026-6033. DOI: 10.1063/1.447604  0.34
1984 Birnbaum G, Krauss M, Frommhold L. Collision‐induced dipoles of rare gas mixtures Journal of Chemical Physics. 80: 2669-2674. DOI: 10.1063/1.447062  0.312
1984 Basch H, Stevens WJ, Krauss M. Electronic states of Al2 Chemical Physics Letters. 109: 212-216. DOI: 10.1016/0009-2614(84)85592-X  0.391
1983 Krauss M, Stevens WJ. The electronic structure and spectra of UO Chemical Physics Letters. 99: 417-421. DOI: 10.1016/0009-2614(83)80165-1  0.417
1982 Stevens WJ, Krauss M. Abinitio effective spin‐orbit operators for use in atomic and molecular structure calculations. Results for CH, OH, SiH, CO+, CO, and SiO Journal of Chemical Physics. 76: 3834-3836. DOI: 10.1063/1.443428  0.329
1982 Krauss M, Stevens WJ. Ab initio determination of the ground-state potential energy curve for Ar2 Chemical Physics Letters. 85: 423-427. DOI: 10.1016/0009-2614(82)83485-4  0.359
1982 Rosenkrantz ME, Krauss M, Stevens WJ. A theoretical investigation of the origins of the green and red spectra of Ca2 Chemical Physics Letters. 89: 4-8. DOI: 10.1016/0009-2614(82)83330-7  0.359
1982 Stevens WJ, Krauss M. AB initio effective spin—orbit operators for use in atomic and molecular structure calculations. Results for carbon and silicon Chemical Physics Letters. 86: 320-324. DOI: 10.1016/0009-2614(82)80214-5  0.346
1982 Krauss M, Stevens WJ, Julienne PS. Spin–orbit and dispersion energy effects in XeF Journal of Computational Chemistry. 3: 372-380. DOI: 10.1002/Jcc.540030312  0.424
1981 Basch H, Stevens WJ, Krauss M. The electronic structure and dipole moment function of PbO (X 1Σ Journal of Chemical Physics. 74: 2416-2418. DOI: 10.1063/1.441363  0.417
1980 Basch H, Julienne PS, Krauss M, Rosenkrantz ME. Energy curves and moments for PbHe and PbXe Journal of Chemical Physics. 73: 6247-6258. DOI: 10.1063/1.440120  0.398
1980 Rosenkrantz ME, Stevens WJ, Krauss M, Konowalow DD. Dipole polarizabilities of the Group IIb atoms obtained from compact variational trial functions Journal of Chemical Physics. 72: 2525-2531. DOI: 10.1063/1.439449  0.365
1979 Krauss M, Neumann DB. The 5Π u -5Σ g + transition in N2 Molecular Physics. 37: 1661-1671. DOI: 10.1080/00268977900101221  0.389
1979 Konowalow DD, Rosenkrantz ME, Stevens WJ, Krauss M. Dipole polarizabilities of Zn, Cd, and Hg (1S) Chemical Physics Letters. 64: 317-320. DOI: 10.1016/0009-2614(79)80521-7  0.302
1979 Krauss M, Neumann DB, Stevens WJ. The dispersion damping functions and interaction energy curves HeHe Chemical Physics Letters. 66: 29-32. DOI: 10.1016/0009-2614(79)80362-0  0.316
1978 Mies FH, Stevens WJ, Krauss M. Model calculation of the electronic structure and spectroscopy of Hg2 Journal of Molecular Spectroscopy. 72: 303-331. DOI: 10.1016/0022-2852(78)90132-7  0.398
1977 Krauss M, Neumann D. Variational calculation of dynamic polarizabilities Chemical Physics Letters. 52: 600-602. DOI: 10.1016/0009-2614(77)80518-6  0.348
1976 Krauss M, Neumann DB. The 5Σ g + states of N2 Molecular Physics. 32: 101-112. DOI: 10.1080/00268977600101641  0.357
1976 Julienne PS, Neumann D, Krauss M. Transition moments for the B3Σ−u–X3Σ−g and 3Πu–X3Σ−g transitions in O2 Journal of Chemical Physics. 64: 2990-2996. DOI: 10.1063/1.432558  0.345
1976 Julienne PS, Krauss M, Stevens W. Collision-induced O1D21S0 emission near 5577 Å in argon Chemical Physics Letters. 38: 374-381. DOI: 10.1016/0009-2614(76)85177-9  0.363
1976 Krauss M, Liu B. The energy curve of XeF, X 2Σ+ Chemical Physics Letters. 44: 257-260. DOI: 10.1016/0009-2614(76)80504-0  0.413
1975 Gillispie GD, Khan AU, Wahl AC, Hosteny RP, Krauss M. The electronic structure of nitrogen dioxide. I. Multiconfiguration self‐consistent‐field calculation of the low‐lying electronic states Journal of Chemical Physics. 63: 3425-3444. DOI: 10.1063/1.431780  0.329
1975 Krauss M, Neumann D. Ion‐pair states of O2 Journal of Chemical Physics. 63: 5073-5076. DOI: 10.1063/1.431312  0.348
1975 Julienne PS, Krauss M. Predissociation of the Schumann-Runge bands of O2 Journal of Molecular Spectroscopy. 56: 270-308. DOI: 10.1016/0022-2852(75)90241-6  0.366
1974 Stevens WJ, Das G, Wahl AC, Krauss M, Neumann D. Study of the ground state potential curve and dipole moment of OH by the method of optimized valence configurations Journal of Chemical Physics. 61: 3686-3699. DOI: 10.1063/1.1682554  0.377
1974 Zecca A, Lazzizzera I, Krauss M, Kuyatt C. Electron scattering from NO and N2O below 10 eV Journal of Chemical Physics. 61: 4560-4566. DOI: 10.1063/1.1681773  0.326
1974 Krauss M, Celotta RJ, Mielczarek SR, Kuyatt CE. Electron impact energy loss spectra of the 12B2 ← X̃2A1 1 transition in N02 Chemical Physics Letters. 27: 285-288. DOI: 10.1016/0009-2614(74)90224-3  0.356
1973 Krauss M, Neumann D. Valence Resonance States of N2 Journal of Research of the National Bureau of Standards Section a: Physics and Chemistry. 411-412. PMID 32189752 DOI: 10.6028/Jres.077A.030  0.361
1973 Krauss M, Neumann D, Wahl AC, Das G, Zemke W. Excited electronic states of O2- Physical Review A. 7: 69-77. DOI: 10.1103/Physreva.7.69  0.313
1973 Bagus PS, Krauss M, LaVilla RE. The threshold region of the methane carbon K-absorption spectrum Chemical Physics Letters. 23: 13-17. DOI: 10.1016/0009-2614(73)89551-X  0.337
1973 Hosteny RP, Hinds AR, Wahl AC, Krauss M. MC SCF calculations on the lowest triplet state of H2O Chemical Physics Letters. 23: 9-12. DOI: 10.1016/0009-2614(73)89550-8  0.396
1972 Krauss M, Neumann D. Energy curves of CO−2 Chemical Physics Letters. 14: 26-28. DOI: 10.1016/0009-2614(72)87132-X  0.393
1971 Julienne PS, Neumann D, Krauss M. Calculation of the Temperature Dependence for Absorption in CO2 in the 1750–1200 Å Region Journal of the Atmospheric Sciences. 28: 833-837. DOI: 10.1175/1520-0469(1971)028<0833:Cottdf>2.0.Co;2  0.308
1971 Krauss M, Maldonado P, Wahl AC. Interaction Energy Curves of LiHe and NaHe (X 2Σ+, A 2Π, B 2Σ+) and X 1Σ+ Ions Journal of Chemical Physics. 54: 4944-4953. DOI: 10.1063/1.1674773  0.38
1971 Krauss M, Mielczarek SR, Neumann D, Kuyatt CE. Mechanism for production of the Fourth Positive Band System of CO by electron impact on CO2 Journal of Geophysical Research. 76: 3733-3737. DOI: 10.1029/Ja076I016P03733  0.356
1971 Julienne PS, Krauss M, Wahl AC. Hartree-Fock energy curves for X2Π and 2Σ+ states of HF+ Chemical Physics Letters. 11: 16-20. DOI: 10.1016/0009-2614(71)80521-3  0.424
1970 Krauss M, Mies FH. Molecular-Orbital Calculation of the Shape Resonance in N 2 − Physical Review A. 1: 1592-1598. DOI: 10.1103/Physreva.1.1592  0.366
1969 Krauss M. Test of a kinetics scheme: Emission in H(2S) + NO(2?) Journal of Research of the National Bureau of Standards Section a: Physics and Chemistry. 191-193. PMID 31929622 DOI: 10.6028/Jres.073A.015  0.337
1969 Miller KJ, Mielczarek SR, Krauss M. Energy Surface and Generalized Oscillator Strength of the 1A″ Rydberg State of H2O Journal of Chemical Physics. 51: 26-32. DOI: 10.1063/1.1671717  0.418
1968 Krauss M. Interaction Energy Surfaces for Li(22S) and Li (22P) With H2. Journal of Research of the National Bureau of Standards Section a: Physics and Chemistry. 553-557. PMID 31824115 DOI: 10.6028/Jres.072A.045  0.369
1968 Krauss M, Walker JA, Dibeler VH. Mass Spectrometric Study of Photoionization. X. Hydrogen Chloride and Methyl Halides. Journal of Research of the National Bureau of Standards. Section a, Physics and Chemistry. 72: 281-293. PMID 31824097 DOI: 10.6028/Jres.072A.027  0.344
1968 Sanders WA, Krauss M. Valence-Only Correlation in LiH and BeH+. Journal of Research of the National Bureau of Standards Section a: Physics and Chemistry. 85-90. PMID 31824079 DOI: 10.6028/Jres.072A.009  0.405
1968 Miller KJ, Krauss M. Inapplicability of the Born Exchange Scattering Amplitude for the He (11S→23S) Transition Journal of Chemical Physics. 48: 2611-2614. DOI: 10.1063/1.1669490  0.309
1967 Miller KJ, Krauss M. Born Inelastic Differential Cross Sections in H2 Journal of Chemical Physics. 47: 3754-3762. DOI: 10.1063/1.1701530  0.352
1965 Dibeler VH, Krauss M, Reese RM, Harllee FN. Mass‐Spectrometric Study of Photoionization. III. Methane and Methane‐d4 Journal of Chemical Physics. 42: 3791-3796. DOI: 10.1063/1.1695818  0.312
1964 Krauss M. Calculation of the Geometrical Structure of Some AH Molecules. Journal of Research of the National Bureau of Standards. Section a, Physics and Chemistry. 68: 635-644. PMID 31834742 DOI: 10.6028/Jres.068A.063  0.369
1959 Krauss M, Reese RM, Dibeler VH. Mutiple Ionization of Rare Gases by Electron Impact. Journal of Research of the National Bureau of Standards Section a: Physics and Chemistry. 201-204. PMID 31216129 DOI: 10.6028/Jres.063A.015  0.356
1958 Krauss M. Electronic Structure of Some Diatomic Hydrides Journal of Chemical Physics. 28: 1021-1026. DOI: 10.1063/1.1744337  0.401
Show low-probability matches.