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1

AB INITIO STUDIES OF HINDERED ARYL ROTATIONS OF METHAQUALONE, MECLOQUA LONE, AND 3-(2,6-DIFLUOROPHENYL)-2-METHYL-4(3H)-QUINAZOLINONE

Azanli, Erol, Rothchild, Robert, Sapse, Anne-Marie

Journal:

Spectroscopy Letters

Year:

2002

Language:

english

File:

PDF, 288 KB

english, 2002

2

Theoretical calculations applied to the study of the energetics of reactions of methamphetamine synthesis and to the characterization of reactants, products and by-products

Danielle Sapse, Elise Champeil, Anne-Marie Sapse

Journal:

Comptes Rendus Chimie

Year:

2011

Language:

english

File:

PDF, 455 KB

english, 2011

3

Ab initio studies of aromatic-aromatic and aromatic-polar interactions in the binding of substrate and inhibitor to dihydrofolate reductase

ANNE-MARIE SAPSE, BARRY S. SCHWEITZER, ADAM P. DICKER, JOSEPH R. BERTINO, VLADIMIR FRECER

Journal:

Chemical Biology & Drug Design

Year:

1992

Language:

english

File:

PDF, 436 KB

english, 1992

4

Ab initio SCF study of guanidine and substituted guanidines. Rotational barriers

Sapse, Anne Marie, Snyder, Grace, Santoro, Angelo V.

Journal:

Journal of Physical Chemistry

Year:

1981

Language:

english

File:

PDF, 505 KB

english, 1981

5

Solvent-Effect investigations through the use of an extended born equation

Joel I. Gersten, Anne Marie Sapse

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 397 KB

english, 1985

6

A theoretical study of solvation energies of FCH2COO−, FCH2COOH, and F2CHCOO−

Duli C. Jain, Denyse De Gale, Anne-Marie Sapse

Journal:

Journal of Computational Chemistry

Year:

1989

Language:

english

File:

PDF, 390 KB

english, 1989

7

Solvent effect and librational entropy calculations on N-acetylalanylglycine amide

Anne-Marie Sapse, Duli C. Jain, Denyse De Gale, T. C. Wu

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 240 KB

english, 1990

8

An ab initio study of the proton affinities of some heteroatomic rings: Imidazole, oxazole, and thiazole

Shahrzad Kabir, Anne-Marie Sapse

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 317 KB

english, 1991

9

A theoretical study of weak complexes of acetylene: An energy decomposition analysis

Sid Topiol, Anne-Marie Sapse, Jeffrey Bunce

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 273 KB

english, 1986

10

Ab initio studies of some negative complexes of lithium compounds

Anne-Marie Sapse, Duli C. Jain

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 343 KB

english, 1990

11

An ab initio study of the interaction of DNA fragments with methyllithium

Danielle S. Sapse, Élise Champeil, Jacques Maddaluno, Catherine Fressigné, Anne-Marie Sapse

Journal:

Comptes Rendus Chimie

Year:

2008

Language:

english

File:

PDF, 461 KB

english, 2008

12

An ab initio study of non-peptide glucagon receptor antagonists

Anne-Marie Sapse, Shannon Lawton, Robert Rothchild, Cecilia G. Unson

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 297 KB

english, 2003

13

Ab initio calculations for N-acetylalanylglycine amide

Anne-Marie Sapse, Scott B. Daniels, Bruce W. Erickson

Journal:

Year:

1988

Language:

english

File:

PDF, 452 KB

english, 1988

14

Ab initio studies of the reaction between diazonium ions and water

Anne-Marie Sapse, Duli C. Jain

Journal:

Journal of Physical Organic Chemistry

Year:

1993

Language:

english

File:

PDF, 449 KB

english, 1993

15

Electronic studies of the pyrrolidine molecule with aziridine ring

Anne-Marie Sapse

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 371 KB

english, 1980

16

Ab initioSCF study of guanidine and substituted guanidines

Anne Marie Sapse, Grace Snyder, Angelo V. Santoro

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 417 KB

english, 1981

17

An ab initio study of the reaction pathway between a mitomycin fragment model and ammonia

Anne Marie Sapse, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 394 KB

english, 1982

18

Theoretical calculations of properties of some nitrosoureas

Anne-Marie Sapse, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 241 KB

english, 1983

19

Ab initio studies of negative ion-molecule(s) clusters present in the atmosphere. II. OH−(H2O)n for n = 0, 2, 3, 4

Anne-Marie Sapse, Louis Osorio, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 426 KB

english, 1984

20

Ab initio studies of negative ion-molecule(s) clusters present in the atmosphere. III. OH−(CO2)n for n = 1, 2

Anne-Marie Sapse, Louis Osorio, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 306 KB

english, 1984

21

Ab initio studies of arginine and deaminoarginine

Anne-Marie Sapse, Rosalind Strauss

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 267 KB

english, 1990

22

Solvation energies of planar and pseudo-planar molecules

Joseph Malinsky, Alex Karpov, Anne-Marie Sapse

Journal:

Structural Chemistry

Year:

1990

Language:

english

File:

PDF, 350 KB

english, 1990

23

An ab initio study of an oxidative mechanism that forms nitric oxide from theN-hydroxyguanidinium ion

Dennis J. Stuehr, Anne-Marie Sapse, Danielle S. Sapse

Journal:

Structural Chemistry

Year:

1993

Language:

english

File:

PDF, 374 KB

english, 1993

24

An ab initio study of the attack of a nitrosoiminium ion on formamide as a model for DNA bases

Anne-Marie Sapse, Danielle S. Sapse, Duli C. Jain

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1994

Language:

english

File:

PDF, 301 KB

english, 1994

25

Organic synthesis on the microgram scale. I

Andrew Fono, Anne -Marie Sapse, T. S. Ma

Journal:

Microchimica Acta

Year:

1965

Language:

english

File:

PDF, 1016 KB

english, 1965

26

An ab initio study of di- and trifluorobenzene–benzene complexes as relevant to carbonic anhydrase II–drug interactions

PoojaP. Chandra, Ahamindra Jain, Anne-Marie Sapse

Journal:

Journal of Molecular Modeling

Year:

2004

Language:

english

File:

PDF, 225 KB

english, 2004

27

An ab initio study of the guanidinium groups in saxitoxin

Anne-Marie Sapse, Robert Rothchild, Kyu Rhee

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 277 KB

english, 2006

28

Theoretical studies of the reduction reaction of the anti-tumor drug FR900482

Anne-Marie Sapse, Duli C. Jain

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 151 KB

english, 2007

29

Theoretical studies of the anti-tumor drug FR900482

Anne-Marie Sapse, Robert Rothchild, Duli C. Jain, Gabriel A. Hernandez

Journal:

Journal of Molecular Modeling

Year:

2007

Language:

english

File:

PDF, 136 KB

english, 2007

30

Lithium bond: H3N---LiOH and H2O---LiNH2 complexes and their interconversions

Anne-Marie Sapse, Krishnan Raghavachari

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 352 KB

english, 1989

31

Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. A Detailed Ab Initio Computational Study

Nicholas D.K. Petraco, Gloria Proni, Jennifer J. Jackiw, Anne-Marie Sapse

Journal:

Journal of Forensic Sciences

Year:

2006

Language:

english

File:

PDF, 365 KB

english, 2006

32

An Ab Initio Study of the Complexes Formed by the Positive Acetylene Ion with the Hydrogen and Nitrogen Molecules and the Argon Atom

Anne-Marie Sapse, Christine Pinto, Duli C. Jain

Journal:

Journal of Cluster Science

Year:

2000

Language:

english

File:

PDF, 110 KB

english, 2000

33

An Ab Initio Study of C2H2.H2, C2H2.N2, and C2H2.Ar Complexes

Anne-Marie Sapse, Christine Pinto, Duli C. Jain

Journal:

Journal of Cluster Science

Year:

2000

Language:

english

File:

PDF, 83 KB

english, 2000

34

Ab InitioCalculations for FO3, FO3+, and FO3-Complexes Formed by Fluorine with Ozone

Vladimir Frecer, Duli C. Jain, Anne-Marie Sapse

Journal:

Structural Chemistry

Year:

1998

Language:

english

File:

PDF, 315 KB

english, 1998

35

A Theoretical Study of LiHe+n, NaHe+n, and MgHe+nComplexes, withn=1, 2, 3, 4

Anne-Marie Sapse, Aurora Dumitra, Duli C. Jain

Journal:

Journal of Cluster Science

Year:

2003

Language:

english

File:

PDF, 164 KB

english, 2003

36

Ab initio study of aspartic and glutamic acid: Supplementary evidence for structural requirements at position 9 for glucagon activity

Anne-Marie Sapse, Mihaly Mezei, Duli C. Jain, Cecille Unson

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 645 KB

english, 1994

37

An ab initio study of helium and neon monoionic positive trimers

Anne-Marie Sapse, Kanhai Shukla

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 302 KB

english, 1994

38

An ab initio study of the binding of the guanidinium and aminopyrrolydinium ions to thymine

Anne-Marie Sapse, Shahrzad Kabir, Grace Snyder

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 362 KB

english, 1995

39

Ab initio calculations on Pro-Ala and Pro-Gly dipeptides

Octavian Antohi, Fred Naider, Anne-Marie Sapse

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 827 KB

english, 1996

40

Solvent effect on the conformation of the Hoechst 33258 agent

Anne-Marie Sapse, Mihaly Mezei, Iuli Karakhanov, Duli C. Jain

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 497 KB

english, 1997

41

Ab initio calculations on blocked Pro-Ala dipeptides

Octavian Antohi, Anne-Marie Sapse

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 882 KB

english, 1998

42

Formation of benzoxathiete under mild conditions and its valence tautomerism in solution to monothio-o-benzoquinone: an experimental and quantum chemical study

Naghipur, Ali, Reszka, Krzysztof, Sapse, Anne Marie, Lown, J. William

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 1.37 MB

english, 1989

43

Parameterization of in Vivo Leukemic Cell Populations

Rubinow, S.I., Lebowitz, J.L., Sapse, Anne-Marie

Journal:

Biophysical Journal

Year:

1971

Language:

english

File:

PDF, 661 KB

english, 1971

44

Alkyldinitrogen species implicated in the carcinogenic, mutagenic, and anticancer activities of N-nitroso compounds: characterization by nitrogen-15 NMR of nitrogen-15-enriched compounds and analysis of DNA base situselectivity by ab initio calculations

Lown, J. William, Chauhan, Shive M. S., Koganty, R. Rao, Sapse, Anne Marie

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 1016 KB

english, 1984

45

Structures and energies of lithium amide dimers and trimers: an ab initio study

Sapse, Ann Marie, Kaufmann, Elmar, Schleyer, Paul v. R., Gleiter, Rolf

Journal:

Inorganic Chemistry

Year:

1984

Language:

english

File:

PDF, 776 KB

english, 1984

46

Models of F·H Contacts Relevant to the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II

DerHovanessian, Ariss, Doyon, Jeffrey B., Jain, Ahamindra, Rablen, Paul R., Sapse, Anne-Marie

Journal:

Organic Letters

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

47

Synthesis of a major mitomycin C DNA adduct via a triaminomitosene

Champeil, Elise, Paz, Manuel M., Lukasiewicz, Elaan, Kong, Wan S., Watson, Stephanie, Sapse, Anne-Marie

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 535 KB

english, 2012

48

Generalization of the Born equation to nonspherical solvent cavities

Gersten, Joel I., Sapse, Anne Marie

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 359 KB

english, 1985

49

Ab Initio Studies of MgNe n + Complexes with n = 1−4

Sapse, Anne-Marie

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 21 KB

english, 2002

50

Clusters of ionic molecules: octahedral vs. planar ring structures of lithium fluoride, lithium hydroxide and lithium amide hexamers

Raghavachari, Krishnan, Sapse, Anne Marie, Jain, Duli C.

Journal:

Inorganic Chemistry

Year:

1987

Language:

english

File:

PDF, 539 KB

english, 1987