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51

Vibrationally modulated hyperfine coupling in the EPR spectrum of the oxiranyl radical

Francesco Zerbetto, Marek Z. Zgierski

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 377 KB

english, 1989

52

The two-conformer hypothesis: 2,3,4,6-tetra-O-methyl-mannopyranosyl and -glucopyranosyl oxacarbenium ions

Tomoo Nukada, Attila Bérces, LiJie Wang, Marek Z. Zgierski, Dennis M. Whitfield

Journal:

Carbohydrate Research

Year:

2005

Language:

english

File:

PDF, 594 KB

english, 2005

53

Investigations into the role of oxacarbenium ions in glycosylation reactions by ab initio molecular dynamics

Andrei R. Ionescu, Dennis M. Whitfield, Marek Z. Zgierski, Tomoo Nukada

Journal:

Carbohydrate Research

Year:

2006

Language:

english

File:

PDF, 1.17 MB

english, 2006

54

Nature of the `dark' state in diphenylacetylene and related molecules: state switch from the linear ππ∗ state to the bent πσ∗ state

Marek Z. Zgierski, Edward C. Lim

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 226 KB

english, 2004

55

Stability and the structures of Nitrogen clusters N10

Li Jie Wang, Paul G. Mezey, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 504 KB

english, 2004

56

On the mechanism of intramolecular charge transfer in para-disubstituted diphenylacetylenes containing electron-donating and electron-accepting groups: role of πσ∗ state in electron-transfer dynamics

Marek Z Zgierski, Edward C Lim

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 336 KB

english, 2004

57

Molecular orbital analysis of anomalous trans effect in cobalamins

Tadeusz Andruniow, Jadwiga Kuta, Marek Z. Zgierski, Pawel M. Kozlowski

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 441 KB

english, 2005

58

Quantum chemical study of biradical decay channels in cytidine nucleosides

Marek Z. Zgierski, Saman Alavi

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 556 KB

english, 2006

59

The role of out-of-plane deformations in subpicosecond internal conversion of photoexcited purine bases: Absence of the ultrafast decay channel in propanodeoxyguanosine

Marek Z. Zgierski, Serguei Patchkovskii, Takashige Fujiwara, Edward C. Lim

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 572 KB

english, 2007

60

Conical intersections and ultrafast intramolecular excited-state dynamics in nucleic acid bases and electron donor–acceptor molecules

Marek Z. Zgierski, Takashige Fujiwara, Edward C. Lim

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 1.06 MB

english, 2008

61

Vibrational dynamics of biological molecules: Multi-quantum contributions

Bogdan M. Leu, Marek Z. Zgierski, Graeme R.A. Wyllie, Mary K. Ellison, W.Robert Scheidt, Wolfgang Sturhahn, E.Ercan Alp, Stephen M. Durbin, J.Timothy Sage

Journal:

Journal of Physics and Chemistry of Solids

Year:

2005

Language:

english

File:

PDF, 257 KB

english, 2005

62

Magnetism and structure at vacant lattice sites in graphene

M.W.C. Dharma-wardana, Marek Z. Zgierski

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2008

Language:

english

File:

PDF, 621 KB

english, 2008

63

New light on the Co–C bond activation in B12-dependent enzymes from density functional theory

Tadeusz Andruniow, Marek Z. Zgierski, Pawel M. Kozlowski

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 171 KB

english, 2000

64

DFT–SQM force field for cobalt corrinoids

Tadeusz Andruniow, Marek Z. Zgierski, Pawel M. Kozlowski

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 228 KB

english, 2000

65

Theoretical study of the structure of phenol–ammonia complexes subject to proton transfer

Willem Siebrand, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 1.20 MB

english, 2001

66

Stable structures of nitrogen-rich sulfides: N3SN4 and S(N4)m (m=1–4)

Li Jie Wang, Paul G Mezey, Marek Z Zgierski

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 344 KB

english, 2003

67

Super-high energy-rich nitrogen cluster N60

Li Jie Wang, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 233 KB

english, 2003

68

On the vibrational force fields of the ground state of trans- and cis-polyacetylenes

Francesco Zerbetto, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 337 KB

english, 1988

69

On the 1Ag→1Bu absorption spectrum of four butadiene isotopomers

Francesco Zerbetto, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 428 KB

english, 1989

70

An accurate in-plane force field for porphine. A scaled quantum mechanical study

Pawel M. Kozlowski, Marek Z. Zgierski, Peter Pulay

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 446 KB

english, 1995

71

The structure of phenol-ammonia clusters before and after proton transfer. A theoretical investigation

Willem Siebrand, Marek Z. Zgierski, Zorka K. Smedarchina, Mikhail Vener, Jose Kaneti

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 350 KB

english, 1997

72

The structure of triniobium dinitride from zero electron kinetic energy photoelectron spectroscopy and density functional calculations

Dong-Sheng Yang, Marek Z. Zgierski, Attila Bérces, Peter A. Hackett, Ana Martinez, Dennis R. Salahub

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 528 KB

english, 1997

73

Proton transfer and solvent reorganization in organic clusters. A theoretical study

Willem Siebrand, Marek Z. Zgierski, Zorka K. Smedarchina

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 506 KB

english, 1997

74

Mechanisms of conformon creation in α-helical structures

Marek Z. Zgierski

Journal:

Journal of Theoretical Biology

Year:

1975

Language:

english

File:

PDF, 627 KB

english, 1975

75

Diyttrium: evidence for a 5∑u− ground state from pulsed-field ionizationzero electron kinetic energy photoelectron spectroscopy and density functional calculations

Dong-Sheng Yang, Benoit Simard, Peter A. Hackett, Attila Bréces, Marek Z. Zgierski

Journal:

International Journal of Mass Spectrometry and Ion Processes

Year:

1996

Language:

english

File:

PDF, 824 KB

english, 1996

76

The inelastic incoherent neutron spectrum of crystalline oxamide: experiment and simulation of a solid

Bruce S. Hudson, John S. Tse, Marek Z. Zgierski, Stewart F. Parker, Dale A. Braden, Chris Middleton

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 166 KB

english, 2000

77

Decoupling conditions for the vibronic equation in dimers

Andrzej Witkowski, Marek Zgierski

Journal:

International Journal of Quantum Chemistry

Year:

1970

Language:

english

File:

PDF, 119 KB

english, 1970

78

Why do the S0→S1(nπ) and S0→T2(nπ) transitions in acetophenone display different activity of the methyl group torsion?

Francesco Zerbetto, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 406 KB

english, 1988

79

New assignment of the vibrational structure of the V ← N transition in ethylene-d4

Willem Siebrand, Francesco Zerbetto, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 606 KB

english, 1990

80

Franck—Codon activity of totally symmetric modes in the absorption spectrum of cyclopentadiene

Marek Z. Zgierski, Francesco Zerbetto

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 495 KB

english, 1991

81

Theoretical analysis of resonance Raman scattering in ethylene

Willem Siebrand, Marek Z. Zgierski

Journal:

Journal of Molecular Structure

Year:

1991

Language:

english

File:

PDF, 677 KB

english, 1991

82

Vibronic and multimode effects on the raman excitation profile of a totally symmetric fundamental in the soret band of cytochrome c

Willem Siebrand, Marek Z. Zgierski

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 843 KB

english, 1983

83

Total-hamiltonian approach to non-radiative decay

Robert Englman, Marek Z. Zgierski

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 830 KB

english, 1985

84

Quantum-chemical analysis of the propeller-shaped molecule [4,4,4]-propellahexaene. A study in heavy-atom tunneling

Francesco Zerbetto, Marek Z. Zgierski

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1006 KB

english, 1989

85

O-2 Substituted pyranosyl oxacarbenium ions are C-2–O-2 2-fold rotors with a strong syn preference

Andrei R. Ionescu, Dennis M. Whitfield, Marek Z. Zgierski

Journal:

Carbohydrate Research

Year:

2007

Language:

english

File:

PDF, 262 KB

english, 2007

86

Intramolecular charge transfer in the excited state of 4-dimethylaminobenzaldehyde and 4-dimethylaminoacetophenone

Takashige Fujiwara, Jae-Kwang Lee, Marek Z. Zgierski, Edward C. Lim

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 2.19 MB

english, 2009

87

Theoretical study of the excited-state proton-transfer threshold in 1-naphthol–ammonia complexes

Willem Siebrand, Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 473 KB

english, 2000

88

Stereoelectronic factors in CO, NO and O2 binding to heme from vibrational spectroscopy and DFT analysis

Thomas G Spiro, Marek Z Zgierski, Pawel M Kozlowski

Journal:

Coordination Chemistry Reviews

Year:

2001

Language:

english

File:

PDF, 206 KB

english, 2001

89

Role of the axial ligand in hemeCO backbonding; DFT analysis of vibrational data

Kathleen M. Vogel, Pawel M. Kozlowski, Marek Z. Zgierski, Thomas G. Spiro

Journal:

Inorganica Chimica Acta

Year:

2000

Language:

english

File:

PDF, 138 KB

english, 2000

90

Some comments on vibronic intensities of naphthalene fluorescence spectra from single vibronic levels

Marek Z. Zgierski

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 364 KB

english, 1977

91

Mechanism and Dynamics of Azobenzene Photoisomerization

Schultz, Thomas, Quenneville, Jason, Levine, Benjamin, Toniolo, Alessandro, Martínez, Todd J., Lochbrunner, Stefan, Schmitt, Michael, Shaffer, James P., Zgierski, Marek Z., Stolow, Albert

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 86 KB

english, 2003

92

DFT-SQM Force Field for Nickel Porphine: Intrinsic Ruffling

Kozlowski, Pawel M., Rush, Thomas S., Jarzecki, Andrzej A., Zgierski, Marek Z., Chase, Bruce, Piffat, Christine, Ye, Bao-Hui, Li, Xiao-Yuan, Pulay, Peter, Spiro, Thomas G.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 172 KB

english, 1999

93

Quantitative Vibrational Dynamics of Iron in Carbonyl Porphyrins

Leu, Bogdan M., Silvernail, Nathan J., Zgierski, Marek Z., Wyllie, Graeme R.A., Ellison, Mary K., Scheidt, W. Robert, Zhao, Jiyong, Sturhahn, Wolfgang, Alp, E. Ercan, Sage, J. Timothy

Journal:

Biophysical Journal

Year:

2007

Language:

english

File:

PDF, 812 KB

english, 2007

94

Photoinduced Charge-Transfer Dehydrogenation in a Gas-Phase Metal-DNA Base Complex: Al-cytosine

Pedersen, David B., Zgierski, Marek Z., Denommee, Stephane, Simard, Benoit

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

95

Porphine force field: in-plane normal modes of free-base porphine; comparison with metalloporphines and structural implications

Li, Xiao Yuan, Zgierski, Marek Z.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 3.04 MB

english, 1991

96

Theoretical analysis of spectra of short polyenes

Orlandi, Giorgio., Zerbetto, Francesco., Zgierski, Marek Z.

Journal:

Chemical Reviews

Year:

1991

Language:

english

File:

PDF, 4.28 MB

english, 1991

97

Resonance Raman studies of imidazole, imidazolium, and their derivatives: the effect of deuterium substitution

Markham, Laura M., Mayne, Leland C., Hudson, Bruce S., Zgierski, Marek Z.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.26 MB

english, 1993

98

Highly effective quenching of the ultrafast radiationless decay of photoexcited pyrimidine bases by covalent modification: photophysics of 5,6-trimethylenecytosine and 5,6-trimethyleneuracil

Zgierski, Marek Z., Fujiwara, Takashige, Kofron, William G., Lim, Edward C.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 696 KB

english, 2007

99

Coupled Electron and Proton Transfer Processes in 4-Dimethylamino-2-hydroxy-benzaldehyde

Zgierski, Marek Z., Fujiwara, Takashige, Lim, Edward C.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.14 MB

english, 2011

100

Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study

Leu, Bogdan M., Zgierski, Marek Z., Bischoff, Christian, Li, Ming, Hu, Michael Y., Zhao, Jiyong, Martin, Steve W., Alp, Esen Ercan, Scheidt, W. Robert

Journal:

Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013