Structures of Acrolein−Guanine Adducts:  A Semi-Empirical Self-Consistent Field and Nuclear Magnetic Resonance Spectral Study

Magnetic Resonance ◽

Spectral Study ◽

Consistent Field ◽

Self Consistent ◽

Guanine Adducts ◽

Self Consistent Field ◽

Semi Empirical ◽

Self-Consistent Field–Molecular Orbital (SCF–MO) Calculations and Nuclear Magnetic Resonance Measurements for Fosfomycin and Related Compounds

Journal of Pharmaceutical Sciences ◽

10.1002/jps.2600760915 ◽

1987 ◽

Vol 76 (9) ◽

pp. 753-756 ◽

Cited By ~ 20

Author(s):

Yves G. Smeyers ◽

A. Hernández Laguna ◽

F.J. Romero-Sánchez ◽

M. Fernández-Ibañez ◽

E. Galvez-Ruano ◽

...

Keyword(s):

Magnetic Resonance ◽

Molecular Orbital ◽

Mo Calculations ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Related Compounds ◽

Multiconfigurational self‐consistent field calculations of nuclear magnetic resonance indirect spin–spin coupling constants

The Journal of Chemical Physics ◽

10.1063/1.468310 ◽

1994 ◽

Vol 101 (8) ◽

pp. 6822-6828 ◽

Cited By ~ 16

Author(s):

Andrzej Barszczewicz ◽

Trygve Helgaker ◽

Michael/ Jaszuński ◽

Poul Jo/rgensen ◽

Kenneth Ruud

Keyword(s):

Magnetic Resonance ◽

Coupling Constants ◽

Spin Coupling ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Spin Coupling Constants ◽

Spin Spin Coupling ◽

Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b01006 ◽

2018 ◽

Vol 14 (2) ◽

pp. 619-637 ◽

Cited By ~ 15

Author(s):

Georgi L. Stoychev ◽

Alexander A. Auer ◽

Róbert Izsák ◽

Frank Neese

Keyword(s):

Magnetic Resonance ◽

Field Calculation ◽

Chemical Shielding ◽

Atomic Orbitals ◽

Consistent Field ◽

Self Consistent ◽

Shielding Constants ◽

Self Consistent Field ◽

A NUCLEAR MAGNETIC RESONANCE AND MASS SPECTRAL STUDY OF SOME ALKENE COMPLEXES OF RHODIUM(I) AND IRIDIUM(I): COORDINATED ALKENE ROTATIONAL BARRIERS, APPEARANCE POTENTIALS AND ESTIMATED HEATS OF FORMATION

Journal of Coordination Chemistry ◽

10.1080/00958978308079751 ◽

1983 ◽

Vol 13 (1) ◽

pp. 29-40 ◽

Cited By ~ 18

Author(s):

Michael A. Arthurs ◽

S. Martin Nelson

Keyword(s):

Magnetic Resonance ◽

Spectral Study ◽

Heats Of Formation ◽

Mass Spectral ◽

Rotational Barriers ◽

Mass Spectral Study ◽

Two-dimensional J-resolved nuclear magnetic resonance spectral study of two bromobenzene glutathione conjugates.

Environmental Health Perspectives ◽

10.1289/ehp.8561139 ◽

1985 ◽

Vol 61 ◽

pp. 139-145

Author(s):

J A Ferretti ◽

R J Highet ◽

L R Pohl ◽

T J Monks ◽

J A Hinson

Keyword(s):

Magnetic Resonance ◽

Spectral Study ◽

Two Dimensional ◽

Glutathione Conjugates ◽

A laser Raman, infrared and nuclear magnetic resonance spectral study of complexation of methylmercury(II) thiocyanate by ionic thiocyanate

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)88905-6 ◽

1972 ◽

Vol 39 (1) ◽

pp. 75-86 ◽

Cited By ~ 18

Author(s):

J Relf ◽

R.P Cooney ◽

H.F Henneike

Keyword(s):

Magnetic Resonance ◽

Spectral Study ◽

Laser Raman ◽

Semi-empirical Self-consistent Field Calculations of Heteroaromatic Compounds of Biological Interest. II. The π-Electronic Structure of Riboflavin

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.18.157 ◽

1970 ◽

Vol 18 (1) ◽

pp. 157-163

Author(s):

MAMORU KAMIYA ◽

YUKIO AKAHORI

Keyword(s):

Electronic Structure ◽

Heteroaromatic Compounds ◽

Consistent Field ◽

Biological Interest ◽

Self Consistent ◽

Self Consistent Field ◽

Semi Empirical

ChemInform Abstract: NUCLEAR MAGNETIC RESONANCE SPECTRAL STUDY OF BETA-AMINOENONES

Chemischer Informationsdienst ◽

10.1002/chin.197533066 ◽

1975 ◽

Vol 6 (33) ◽

pp. no-no

Author(s):

CHOJI KASHIMA ◽

HIROMU AOYAMA ◽

YASUHIRO YAMAMOTO ◽

TAKEHIKO NISHIO ◽

KAZUTOSHI YAMADA

Keyword(s):

Magnetic Resonance ◽

Spectral Study ◽

The band structure of one-dimensional (tetrazaporphyrinato)cobalt(II). A semi-empirical self-consistent field crystal orbital analysis

Chemical Physics ◽

10.1016/0301-0104(87)80191-x ◽

1987 ◽

Vol 117 (3) ◽

pp. 405-413 ◽

Cited By ~ 8

Author(s):

Michael C. Böhm ◽

Rafael Ramirez ◽

Andrzej M. Oleś

Keyword(s):

Band Structure ◽

One Dimensional ◽

Consistent Field ◽

Crystal Orbital ◽

Self Consistent ◽

Self Consistent Field ◽

Semi Empirical ◽

Orbital Analysis

A dynamic 1H nuclear magnetic resonance spectral study of 1,4-dithian and of its dihalogen complexes

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29780000712 ◽

1978 ◽

pp. 712 ◽

Cited By ~ 8

Author(s):

Geoffrey Hunter ◽

Reginald F. Jameson ◽

Mahmoud Shiralian

Keyword(s):

Magnetic Resonance ◽

Spectral Study ◽

1H Nuclear Magnetic Resonance ◽