Klopper, Wim.: search on Z-Library

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51

Pentagerma[1.1.1]propellane: A Combined Experimental and Quantum Chemical Study on the Nature of the Interactions between the Bridgehead Atoms

Dominik Nied, Wim Klopper, Frank Breher

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 365 KB

english, 2009

52

Synthesis and Properties of para-Substituted NCN-Pincer Palladium and Platinum Complexes

Martijn Q. Slagt, Gema Rodríguez, Michiel M. P. Grutters, Robertus J. M. Klein Gebbink, Wim Klopper, Leonardus W. Jenneskens, Martin Lutz, Anthony L. Spek, Gerard van Koten

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 409 KB

english, 2004

53

Two-dimensional model treatment of torsional motions in the water trimer

Wim Klopper, Martin Schütz

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 592 KB

english, 1995

54

Spin flipping in ring-coupled-cluster-doubles theory

Wim Klopper, Andrew M. Teale, Sonia Coriani, Thomas Bondo Pedersen, Trygve Helgaker

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 372 KB

english, 2011

55

Inclusion of the (T) triples correction into the linear-r12 corrected coupled-cluster model CCSD(R12)

Heike Fliegl, Christof Hättig, Wim Klopper

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 165 KB

english, 2006

56

Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn

Arnim Hellweg, Christof Hättig, Sebastian Höfener, Wim Klopper

Journal:

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

Year:

2007

Language:

english

File:

PDF, 268 KB

english, 2007

57

Orbital-invariant formulation of the MP2-R12 method

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 268 KB

english, 1991

58

The barrier to linearity of hydrogen sulphide

György Tarczay, Attila G. Császár, Matthew L. Leininger, Wim Klopper

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 172 KB

english, 2000

59

The phenyl + phenyl reaction as pathway to benzynes: An experimental and theoretical study

Steffen H. Dürrstein, Matthias Olzmann, Jorge Aguilera-Iparraguirre, Robert Barthel, Wim Klopper

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 544 KB

english, 2011

60

One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands

Abuhmaiera, Ramadan, Lan, Yanhua, Ako, Ayuk M., Kostakis, George E., Mavrandonakis, Andreas, Klopper, Wim, Clérac, Rodolphe, Anson, Christopher E., Powell, Annie K.

Journal:

Year:

2009

Language:

english

File:

PDF, 5.41 MB

english, 2009

61

Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations

Pawłowski, Filip, Halkier, Asger, Jørgensen, Poul, Bak, Keld L., Helgaker, Trygve, Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 331 KB

english, 2003

62

Erratum: “The accuracy of atomization energies from explicitly correlated coupled-cluster calculations” [J. Chem. Phys. 115, 2022 (2001)]

Noga, Jozef, Valiron, Pierre, Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 468 KB

english, 2002

63

Wave Function Based Quantum Chemistry

Trygve Helgaker, Poul Jorgensen, Jeppe Olsen, Wim Klopper

Journal:

Year:

2004

File:

PDF, 50 KB

2004

64

Theoretical study of electron correlation and relativistic effects on spectroscopic constants of hydrogen halides HX (X=F, Cl, Br, I)

Alf C. Hennum, Asger Halkier, Wim Klopper

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 128 KB

english, 2001

65

Computation of some new two-electron Gaussian integrals

Wim Klopper, Robert Röhse

Journal:

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

Year:

1992

Language:

english

File:

PDF, 773 KB

english, 1992

66

Explicitly Correlated Electrons in Molecules

Hättig, Christof, Klopper, Wim, Köhn, Andreas, Tew, David P.

Journal:

Chemical Reviews

Year:

2012

Language:

english

File:

PDF, 2.78 MB

english, 2012

67

Large-amplitude vibrations of an N–H⋯π hydrogen bonded cis-amide–benzene complex

Pfaffen, Chantal, Frey, Hans-Martin, Ottiger, Philipp, Leutwyler, Samuel, Bachorz, Rafał A., Klopper, Wim

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.74 MB

english, 2010

68

Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space

Izsák, Róbert, Neese, Frank, Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 574 KB

english, 2013

69

The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge 14 [Si(SiMe 3 ) 3 ] 5 [Li(THF) 2 ] 3 Cluster

Schenk, Christian, Kracke, Andreas, Fink, Karin, Kubas, Adam, Klopper, Wim, Neumaier, Marco, Schnöckel, Hansgeorg, Schnepf, Andreas

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 3.19 MB

english, 2011

70

Electron tunneling from electronically excited states of isolated bisdisulizole-derived trianion chromophores following UV absorption

Winghart, Marc-Oliver, Yang, Ji-Ping, Kühn, Michael, Unterreiner, Andreas-Neil, Wolf, Thomas J. A., Dau, Phuong D., Liu, Hong-Tao, Huang, Dao-Ling, Klopper, Wim, Wang, Lai-Sheng, Kappes, Manfred M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.48 MB

english, 2013

71

Anharmonic force field, vibrational energies, and barrier to inversion of SiH[sub 3][sup −]

Aarset, Kirsten, Császár, Attila G., Sibert, Edwin L., Allen, Wesley D., Schaefer, Henry F., Klopper, Wim, Noga, Jozef

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 351 KB

english, 2000

72

Computational study of the molecular structure and hydrogen bonding in the Hamilton wedge/cyanuric acid binding motif

Limacher, Peter A., Klopper, Wim

Journal:

Year:

2017

Language:

english

File:

PDF, 4.73 MB

english, 2017

73

GW quasiparticle energies of atoms in strong magnetic fields

Holzer, Christof, Teale, Andrew M., Hampe, Florian, Stopkowicz, Stella, Helgaker, Trygve, Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.22 MB

english, 2019

74

[BMIm] 2 [Mn(CO) 3 (GeI 3 ) 3 ]: Carbonyl Compound with an {MnGe 3 } Cluster Unit

Wolf, Silke, Wei, Shangxin, Klopper, Wim, Dehnen, Stefanie, Feldmann, Claus

Journal:

Inorganic Chemistry

Year:

2020

File:

PDF, 3.67 MB

2020

75

[2.2]Paracyclophanediyldiphosphane Complexes of Gold

Christian Sarcher, Anja Lühl, Florian C. Falk, Sergei Lebedkin, Michael Kühn, Cong Wang, Jan Paradies, Manfred M. Kappes, Wim Klopper, Peter W. Roesky

Journal:

European Journal of Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 720 KB

english, 2012

76

An ab initio derived torsional potential energy surface for (H2O)3. II. Benchmark studies and interaction energies

Klopper, Wim, Schütz, Martin, Lüthi, Hans P., Leutwyler, Samuel

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 647 KB

english, 1995

77

Single and Multiple Additions of Dibenzoylmethane onto Buckminsterfullerene

Giovannitti, Alexander, Seifermann, Stefan M., Bihlmeier, Angela, Muller, Thierry, Topic, Filip, Rissanen, Kari, Nieger, Martin, Klopper, Wim, Bräse, Stefan

Journal:

European Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 517 KB

english, 2013

78

Non-covalent Interactions of CO 2 with Functional Groups of Metal–Organic Frameworks from a CCSD(T) Scheme Applicable to Large Systems

Vogiatzis, Konstantinos D., Klopper, Wim, Friedrich, Joachim

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.84 MB

english, 2015

79

Single and Multiple Additions of Dibenzoylmethane onto Buckminsterfullerene (Eur. J. Org. Chem. 35/2013)

Giovannitti, Alexander, Seifermann, Stefan M., Bihlmeier, Angela, Muller, Thierry, Topic, Filip, Rissanen, Kari, Nieger, Martin, Klopper, Wim, Bräse, Stefan

Journal:

European Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 5.91 MB

english, 2013

80

Extrapolation to the limit of a complete basis set for electronic structure calculations on the N2 molecule

Wim Klopper, Trygve Helgaker

Journal:

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

Year:

1998

Language:

english

File:

PDF, 167 KB

english, 1998

81

Structure Revision of Plakotenin Based on Computational Investigation of Transition States and Spectroscopic Properties

Bihlmeier, Angela, Bourcet, Emmanuel, Arzt, Stephanie, Muller, Thierry, Bräse, Stefan, Klopper, Wim

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1.17 MB

english, 2012

82

Density Functional Theory Study of the Formation of Naphthalene and Phenanthrene from Reactions of Phenyl with Vinyl- and Phenylacetylene

Aguilera-Iparraguirre, Jorge, Klopper, Wim

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 246 KB

english, 2007

83

Second-order electron-correlation and self-consistent spin-orbit treatment of heavy molecules at the basis-set limit

Bischoff, Florian A., Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 144 KB

english, 2010

84

Benchmarking the Lithium-Thiophene Complex

Harding, Michael E., Klopper, Wim

Journal:

Year:

2013

Language:

english

File:

PDF, 306 KB

english, 2013

85

A Close Look at Short CCH3⋅⋅⋅Potassium Contacts: Synthetic and Theoretical Investigations of [M2Co2(μ3-OtBu)2(μ2-OtBu)4(thf)n] (M=Na, K, Rb, thf=tetrahydrofuran)

Christopher E. Anson, Wim Klopper, Jin-Shan Li, Lukasz Ponikiewski, Alexander Rothenberger

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 288 KB

english, 2006

86

The MP2-F12 method in the TURBOMOLE program package

Rafał A. Bachorz, Florian A. Bischoff, Andreas Glöß, Christof Hättig, Sebastian Höfener, Wim Klopper, David P. Tew

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 291 KB

english, 2011

87

Atropisomerization of di-para-substituted propyl-bridged biphenyl cyclophanes

Rotzler, Jürgen, Gsellinger, Heiko, Bihlmeier, Angela, Gantenbein, Markus, Vonlanthen, David, Häussinger, Daniel, Klopper, Wim, Mayor, Marcel

Journal:

Organic & Biomolecular Chemistry

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

88

An explicitly correlated coupled cluster calculation of the helium–helium interatomic potential

Klopper, Wim, Noga, Jozef

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 344 KB

english, 1995

89

Self-consistent treatment of spin–orbit interactions with efficient Hartree–Fock and density functional methods

Armbruster, Markus K., Weigend, Florian, van Wüllen, Christoph, Klopper, Wim

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 637 KB

english, 2008

90

The calculation of molecular geometrical properties in the Hellmann—Feynman approximation

Bakken, VebjØSRN, Helgaker, Trygve, Klopper, Wim, Ruud, Kenneth

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 1.57 MB

english, 1999

91

An accurate, global, ab initio potential energy surface for the H +3 molecule

POLYANSKY, OLEG L., PROSMITI, RITA, KLOPPER, WIM, TENNYSON, JONATHAN

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 942 KB

english, 2000

92

Characterization of Nonanuclear Europium and Gadolinium Complexes by Gas-Phase Luminescence Spectroscopy

Greisch, Jean-François, Harding, Michael E., Schäfer, Bernhard, Ruben, Mario, Klopper, Wim, Kappes, Manfred M., Schooss, Detlef

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.37 MB

english, 2014

93

Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes – a methyl group matters

Enders, Mirja, Friedmann, Christian J., Plessow, Philipp N., Bihlmeier, Angela, Nieger, Martin, Klopper, Wim, Bräse, Stefan

Journal:

Chemical Communications

Year:

2015

Language:

english

File:

PDF, 1.75 MB

english, 2015

94

Differential Many-Body Cooperativity in Electronic Spectra of Oligonuclear Transition-Metal Complexes

Chmela, Jiří, Harding, Michael E., Matioszek, Dimitri, Anson, Christopher E., Breher, Frank, Klopper, Wim

Journal:

Year:

2016

Language:

english

File:

PDF, 3.41 MB

english, 2016

95

Communication: A hybrid Bethe–Salpeter/time-dependent density-functional-theory approach for excitation energies

Holzer, Christof, Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 537 KB

english, 2018

96

Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements

Nied, Dominik, Oña-Burgos, Pascual, Klopper, Wim, Breher, Frank

Journal:

Organometallics

Year:

2011

Language:

english

File:

PDF, 1.60 MB

english, 2011

97

Configuration interaction calculations with terms linear in the interelectronic coordinate for the ground state of H+3. A benchmark study

Röhse, Robert, Klopper, Wim, Kutzelnigg, Werner

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.10 MB

english, 1993

98

Analytic calculation of first-order molecular properties at the explicitly correlated second-order Mo̸ller–Plesset level: Basis-set limits for the molecular quadrupole moments of BH and HF

Kordel, Elena, Villani, Cristian, Klopper, Wim

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 412 KB

english, 2005

99

Quantitative quantum chemistry

Helgaker, Trygve, Klopper, Wim, Tew, David P.

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 413 KB

english, 2008

100

Explicitly correlated coupled cluster R12 calculations of the dipole polarizability of He[sub 2]

Jaszuński, Michał, Klopper, Wim, Noga, Jozef

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 255 KB

english, 2000

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