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51

A theoretical study of the strcture of (NO)2

P.N. Skancke, James E. Boggs

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 173 KB

english, 1973

52

Trends in structure and reactivity of group 15 alkyls, alkylidenes, and alkylidynes

Kerwin D. Dobbs, James E. Boggs, Alan H. Cowley

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 287 KB

english, 1987

53

Rotation-inversion spectrum of methylaminoethane

R.E Penn, James E Boggs

Journal:

Journal of Molecular Spectroscopy

Year:

1973

Language:

english

File:

PDF, 411 KB

english, 1973

54

Microwave spectrum, structure and dipole moment of 3-methyl-1-butyne

Alan R. Mochel, Alf Bjørseth, Chester O. Britt, James E. Boggs

Journal:

Journal of Molecular Spectroscopy

Year:

1973

Language:

english

File:

PDF, 573 KB

english, 1973

55

Microwave spectrum and rotational isomerism in isopropyl mercaptan

John H. Griffiths, James E. Boggs

Journal:

Journal of Molecular Spectroscopy

Year:

1975

Language:

english

File:

PDF, 738 KB

english, 1975

56

Microwave spectrum, structure, dipole moment, and quadrupole coupling constants of isopropylamine

Suresh C. Mehrotra, Lawrence L. Griffin, Chester O. Britt, James E. Boggs

Journal:

Journal of Molecular Spectroscopy

Year:

1977

Language:

english

File:

PDF, 453 KB

english, 1977

57

Theoretical prediction of vibrational spectra: The out-of-plane force field and vibrational spectra of pyridine

Gábor Pongor, Géza Fogarasi, James E. Boggs, Péter Pulay

Journal:

Journal of Molecular Spectroscopy

Year:

1985

Language:

english

File:

PDF, 671 KB

english, 1985

58

Molecular orbital studies of conformers and the barrier to internal rotation in 1,3-butadiene

P.N. Skancke, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1973

Language:

english

File:

PDF, 474 KB

english, 1973

59

An SCF-LCAO-MO study of the conformation of cyclopropylamine

Alan R. Mochel, James E. Boggs, Per Njål Skancke

Journal:

Journal of Molecular Structure

Year:

1973

Language:

english

File:

PDF, 711 KB

english, 1973

60

Microwave spectrum of the cis conformer of cyclopropanecarboxylic acid chloride

K.P.R. Nair, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 344 KB

english, 1976

61

An ab initio SCF study of conformational isomerism in HNO2

Steen Skaarup, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 623 KB

english, 1976

62

On the electronic and molecular structures of some fluoro-substituted cyclopropane derivatives

Anne Skancke, Even Flood, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1977

Language:

english

File:

PDF, 523 KB

english, 1977

63

On the molecular structure of fluorosulphuric acid methyl ester as studied by microwave spectroscopy and electron diffraction

István Hargittai, Ragnhild Seip, K.P.Rajappan Nair, Chester O. Britt, James E. Boggs, Bjørg N. Cyvin

Journal:

Journal of Molecular Structure

Year:

1977

Language:

english

File:

PDF, 913 KB

english, 1977

64

Relief of steric strain accompanying the isomerization of azomethane

Even Flood, Pðer Pulay, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1978

Language:

english

File:

PDF, 483 KB

english, 1978

65

The molecular structures of methylcyclopropane, cyclopropylamine and cyclopropyl lithium

Anne Skancke, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1978

Language:

english

File:

PDF, 788 KB

english, 1978

66

Geometric and electronic structures of methylene sulfurtetrafluoride, CH2SF4, thionyl tetrafluoride, OSF4, and sulfurtetrafluoride, SF4: an ab initio study

Heinz Oberhammer, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 502 KB

english, 1979

67

Geometric and electronic structures of chlorine- and fluorine-substituted carbonyl and thiocarbonyl compounds. An ab initio study

Heinz Oberhammer, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 908 KB

english, 1979

68

Participation of silicon d orbitals in bonding as determined from the geometric and electronic structures of cyclopropylsilane and vinylsilane

Heinz Oberhammer, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 513 KB

english, 1979

69

The geometry of some amides obtained from ab initio calculations

Géza Fogarasi, Péter Pulay, Ferenc Török, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 828 KB

english, 1979

70

Molecular structures and conjugative interactions in vinylcyclopropane and cyclopropyl cyanide

Anne Skancke, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 549 KB

english, 1979

71

The barriers to methyl group rotation in s-cis- and s-trans-methyl nitrite

Floyd R. Cordell, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1980

Language:

english

File:

PDF, 697 KB

english, 1980

72

Ab inttio structural analysis of some saturated 3- and 4-membered rings

P.N. Skancke, Geza Fogarasi, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1980

Language:

english

File:

PDF, 1.40 MB

english, 1980

73

The structure of naphthalene

Harrell Sellers, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1981

Language:

english

File:

PDF, 482 KB

english, 1981

74

Structural determination of a recalcitrant molecule (S2F4)

Michael V. Carlowitz, Heinz Oberhammer, Helge Willner, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 1.13 MB

english, 1983

75

The integration of structure determination by computation, electron diffraction and microwave spectroscopy

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 1.06 MB

english, 1983

76

Structures of the gauche conformers of somE substituted dimethyl ethers. Effect of adjacent atom lone pairs on methyl group asymmetry

James E. Boggs, Michael Altman, Floyd R. Cordell, Yuanfang Dai

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 1.37 MB

english, 1983

77

The structures of dimethyl peroxide, CH3OOCH3, and bis-(trifluoromethyl) peroxide (CF3OOCF3)

William Gase, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1984

Language:

english

File:

PDF, 237 KB

english, 1984

78

CH bond length variations due to the intramolecular environment: a comparison of the results obtained by the method of isolated CH stretching frequencies and by ab initio gradient calculations

Donald C. McKean, James E. Boggs, Lothar Schäfer

Journal:

Journal of Molecular Structure

Year:

1984

Language:

english

File:

PDF, 1.18 MB

english, 1984

79

Molecular structure and conformation of 2-acetyl-5-methyl-1,2,3-diazaphosphole: the use of ab initio calculations in an electron diffraction study

Leonid S. Khaikin, Lev V. Vilkov, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1988

Language:

english

File:

PDF, 778 KB

english, 1988

80

On the molecular structures of the prevailing anti conformers of gaseous cis-1 and trans-1-chloro-1,3-butadiene

Grete Gundersen, Hanne G. Thomassen, James E. Boggs, Michael L. Collins

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.38 MB

english, 1989

81

Structural changes as a function of torsional motion studied by ab initio calculations part 4. The dependence of the dynamic behavior of the structural parameters for H2O2 and H2S2 on basis sets and comparison with experimental results

Svein Samdal, Vladimir S. Mastryukov, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 356 KB

english, 1995

82

The effect of methylation on the structure of uracil

Vladimir S. Mastryukov, Kangnian Fan, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 703 KB

english, 1995

83

The structure of bicyclo[3.1.0]hexane as determined by electron diffraction and microwave spectroscopy. Reinvestigation with ab initio calculations. Calculated structure of bicyclo[4.1.0]heptane

Quang Shen, Vladimir S. Mastryukov, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 643 KB

english, 1995

84

The molecular conformation of methyl methacrylate — an infrared and ab initio study

Brian L. Baker, MaryKay Orgill, Noel L. Owen, Ernie H. Stephenson, Gwilym A. Williams, John N. Macdonald, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 547 KB

english, 1995

85

Lunar laser ranging science: Gravitational physics and lunar interior and geodesy

James G. Williams, Slava G. Turyshev, Dale H. Boggs, J. Todd Ratcliff

Journal:

Advances in Space Research

Year:

2006

Language:

english

File:

PDF, 123 KB

english, 2006

86

Pseudo Jahn–Teller versus Renner–Teller effects in the instability of linear molecules

Yang Liu, Isaac B. Bersuker, Wenli Zou, James E. Boggs

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 528 KB

english, 2010

87

Ab initio anharmonic force field and ab initio and experimental equilibrium structures of formyl chloride

J. Demaison, James E. Boggs, H.D. Rudolph

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 150 KB

english, 2004

88

Symmetry breaking in linear : A theoretical study

Wenli Zou, Dong Xu, Peter Zajac, Andrew L. Cooksy, Isaac B. Bersuker, Yang Liu, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 613 KB

english, 2010

89

Use of a scaled quantum-mechanical (SQM) force field for the interpretation and prediction of the vibrational spectra of 4H-pyran-4-thione

Árpád Somogyi, George Jalsovszky, Csaba Fülöp, Jeff Stark, James E. Boggs

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1989

Language:

english

File:

PDF, 1.13 MB

english, 1989

90

Infrared band intensity variations during rotamer interconversion in simple alcohols and thiols

Gwilym A. Williams, John N. Macdonald, Kevin M. Dunn, James E. Boggs

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 581 KB

english, 1992

91

Theoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine

Gábor Pongor, Géza Fogarasi, Ildikó Magdó, James E. Boggs, Gábor Keresztury, Igor S. Ignatyev

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 797 KB

english, 1992

92

Infrared and Raman spectra of 1,1-dichlorodisilane species: a scaled ab initio force field, atomic polar tensors, dipole derivatives and atomic charges

D.C McKean, H.G.M Edwards, I.R Lewis, W.F Murphy, Vladimir S Mastryukov, James E Boggs

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1995

Language:

english

File:

PDF, 583 KB

english, 1995

93

Infrared and Raman spectra of 1,1-dibromodisilanes and STO-3G∗ calculations

D.C. McKean, H.G.M. Edwards, I.R. Lewis, V.S. Mastryukov, James E. Boggs, M.K. Leong

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1996

Language:

english

File:

PDF, 381 KB

english, 1996

94

The role of the cubic and quartic Jahn–Teller coupling in the ground electronic state of the methoxy radical CH3O

Aleksandr V. Marenich, James E. Boggs

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 130 KB

english, 2005

95

Ab initio study of the electronic states of BS including spin–orbit coupling

Xinzheng Yang, James E. Boggs

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 243 KB

english, 2005

96

Theoretical study of RgMF (Rg = He, Ne; M = Cu, Ag, Au): Bonded structures of helium

Wenli Zou, Yang Liu, James E. Boggs

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 479 KB

english, 2009

97

Stereoelectronic interaction effects on the conformational properties of hydrogen peroxide and its analogues containing S and Se atoms: An ab initio, hybrid-DFT study and NBO analysis

Davood Nori-Shargh, Hooriye Yahyaei, James E. Boggs

Journal:

Journal of Molecular Graphics and Modelling

Year:

2010

Language:

english

File:

PDF, 324 KB

english, 2010

98

The molecular structure, spin–vibronic energy levels, and thermochemistry of CH3O

Aleksandr V. Marenich, James E. Boggs

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 228 KB

english, 2006

99

Ab initio and NBO analysis of the conformational properties of 1,2-oxathiane mono-S-oxide, 1,2-dithiane mono-S-oxide and 1,2-thiaselenane mono-S-oxide

Alireza Zeinalinezhad, Davood Nori-Shargh, Zohreh Abbasi-Bakhtiari, James E. Boggs

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 349 KB

english, 2010

100

Theoretical modeling of the diphosphene (HP=PH) ligand

Jung-Goo Lee, Alan H. Cowley, James E. Boggs

Journal:

Inorganica Chimica Acta

Year:

1983

Language:

english

File:

PDF, 143 KB

english, 1983