Molecular orbital study of proton transfer in (H3NHOH2)+

Steve Scheiner; Lawrence B. Harding

doi:10.1021/j100230a010

Molecular orbital study of proton transfer in (H3NHOH2)+

The Journal of Physical Chemistry ◽

10.1021/j100230a010 ◽

1983 ◽

Vol 87 (7) ◽

pp. 1145-1153 ◽

Cited By ~ 25

Author(s):

Steve Scheiner ◽

Lawrence B. Harding

Keyword(s):

Proton Transfer ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

Molecular orbital study of proton transfer energetics in the active site of papain by using methanethiol-imidazole-formic acid complex as a model.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.29.918 ◽

1981 ◽

Vol 29 (4) ◽

pp. 918-925 ◽

Cited By ~ 2

Author(s):

HIDEAKI UMEYAMA ◽

SETSUKO NAKAGAWA

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Molecular Orbital ◽

Active Site ◽

Acid Complex ◽

Transfer Energetics ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

A molecular orbital study on the effects of substituents on the proton transfer from Ser-195 to His-57 in the hydrolysis of .ALPHA.-chymotrypsin.

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.23.3045 ◽

1975 ◽

Vol 23 (12) ◽

pp. 3045-3055 ◽

Cited By ~ 9

Author(s):

HIDEAKI UMEYAMA ◽

AKIRA IMAMURA ◽

CHIKAYOSHI NAGATA

Keyword(s):

Proton Transfer ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Hydrolysis Of

Download Full-text

Proton transfer reactions of nucleic acid bases: A semiempirical molecular orbital study

Journal of Chemical Sciences ◽

10.1007/bf02884440 ◽

1995 ◽

Vol 107 (3) ◽

Author(s):

Divi Venkateswarlu ◽

R H Duncan Lyngdoh

Keyword(s):

Nucleic Acid ◽

Proton Transfer ◽

Molecular Orbital ◽

Transfer Reactions ◽

Nucleic Acid Bases ◽

Molecular Orbital Study ◽

Orbital Study ◽

Proton Transfer Reactions ◽

Semiempirical Molecular Orbital

Download Full-text

Molecular orbital study of hydrogen bonding and proton transfer in the system acetic acid - pyridine: isolated system and solvent effect

Advances in Molecular Relaxation and Interaction Processes ◽

10.1016/0378-4487(80)80022-7 ◽

1980 ◽

Vol 16 (3) ◽

pp. 155-164 ◽

Cited By ~ 6

Author(s):

Milan Remko

Keyword(s):

Hydrogen Bonding ◽

Acetic Acid ◽

Proton Transfer ◽

Solvent Effect ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

Molecular orbital study of the effects of ionic amino acid residues on proton transfer energetics in the active site of carboxypeptidase a

Chemical Physics Letters ◽

10.1016/0009-2614(81)80451-4 ◽

1981 ◽

Vol 81 (3) ◽

pp. 503-507 ◽

Cited By ~ 5

Author(s):

Setsuko Nakagawa ◽

Hideaki Umeyama

Keyword(s):

Amino Acid ◽

Proton Transfer ◽

Molecular Orbital ◽

Active Site ◽

Amino Acid Residues ◽

Carboxypeptidase A ◽

Transfer Energetics ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

Non-dissociative proton transfer in 2-pyridone–2-hydroxypyridine. An ab initio molecular orbital study

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29870000617 ◽

1987 ◽

pp. 617-622 ◽

Cited By ~ 51

Author(s):

Martin J. Field ◽

Ian H. Hillier

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

ChemInform Abstract: SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF THE DIBORONTETRAHYDRIDE MOLECULE

Chemischer Informationsdienst ◽

10.1002/chin.197817007 ◽

1978 ◽

Vol 9 (17) ◽

Author(s):

M. K. DATTA ◽

R. DATTA

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Semi Empirical

Download Full-text

ChemInform Abstract: MOLECULAR ORBITAL STUDY OF SUBSTITUTED TRIMETHYLENEMETHANE-BIS(PHOSPHINE)PALLADIUM COMPLEXES

Chemischer Informationsdienst ◽

10.1002/chin.198201084 ◽

1982 ◽

Vol 13 (1) ◽

Author(s):

D. J. GORDON ◽

R. F. FENSKE ◽

T. N. NANNINGA ◽

B. M. TROST

Keyword(s):

Molecular Orbital ◽

Palladium Complexes ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text

Molecular Orbital Study on Quartet Molecules with Trigonal Axis of Symmetry

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals ◽

10.1080/10587259308035722 ◽

1993 ◽

Vol 232 (1) ◽

pp. 323-332 ◽

Cited By ~ 9

Author(s):

Kazunari Yoshizawa ◽

Masashi Hatanaka ◽

Akihiro Ito ◽

Kazuyoshi Tanaka ◽

Tokio Yamabe

Keyword(s):

Molecular Orbital ◽

Trigonal Axis ◽

Molecular Orbital Study ◽

Orbital Study ◽

Axis Of Symmetry

Download Full-text

ChemInform Abstract: AN AB INITIO MOLECULAR ORBITAL STUDY OF STRUCTURES AND ENERGIES OF SPIRO COMPOUNDS- SPIROPENTANE, SPIROPENTENE, SPIROPENTADIENE, SPIRO(2.4)HEPTA-4,6-DIENE, SPIRO(2.4)HEPTATRIENE, AND SPIRO(4.4)NONATETRAENE

Chemischer Informationsdienst ◽

10.1002/chin.197820069 ◽

1978 ◽

Vol 9 (20) ◽

Author(s):

J. KAO ◽

L. RADOM

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Spiro Compounds ◽

Molecular Orbital Study ◽

Orbital Study

Download Full-text