Detlev Figgen

Massey University

15H指数

26论文数

5.9K被引数

收录论文 11

发表时间

Relativistic four- and two-component calculations of parity violation effects in chiral tungsten molecules of the form NWXYZ (X, Y, Z=H, F, Cl, Br, or I)NWXYZ (X，Y，Z = H，F，Cl，Br或I) 形式的手性钨分子中违反奇偶校验效应的相对论四分量和两分量计算

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-06-18

OAAI

Figgen, Detlev; Saue, Trond; Schwerdtfeger, Peter

NWHCII: A Small and Compact Chiral Molecule with Large Parity-Violation Effects in the Vibrational Spectrum NWHCII: 一个小而紧凑的手性分子，在振动光谱中具有较大的奇偶性违反效应

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2010-03-30

PREAI

Figgen, Detlev; Koers, Anton; Schwerdtfeger, Peter

A highly accurate potential energy curve for the mercury dimer

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-03-15

PREAI

Pahl, Elke; Figgen, Detlev; Thierfelder, Christian; Peterson, Kirk A.; Calvo, Florent; Schwerdtfeger, Peter

Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-04-23

610

PREAI

Figgen, Detlev; Peterson, Kirk A.; Dolg, Michael; Stoll, Hermann

Structures, inversion barriers, and parity violation effects in chiral SeOXY molecules (X,Y=H, F, Cl, Br, or I)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-02-05

PREAI

Figgen, Detlev; Schwerdtfeger, Peter

Energy-consistent relativistic pseudopotentials for the 4d elements:: Atomic and molecular applications

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-01-17

OAAI

Figgen, Detlev; Peterson, Kirk A.; Stoll, Hermann

On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-01-11

OAAI

Figgen, Detlev; Wedig, Anja; Stoll, Hermann; Dolg, Michael; Eliav, Ephraim; Kaldor, Uzi

Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd 4d元素y-pd的能量一致相对论伪势能和相关一致基集

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2007-03-22

823

PREAI

Peterson, Kirk A.; Figgen, Detlev; Dolg, Michael; Stoll, Hermann

A systematic ab initio study of the equilibrium geometry and vibrational wave numbers of bismuthine

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-06-08

PREAI

Breidung, J; Thiel, W; Figgen, D; Stoll, H

Systematically convergent basis sets with relativistic pseudopotentials.: II.: Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16-18 elements

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2003-12-01

2.0K

PREAI

Peterson, KA; Figgen, D; Goll, E; Stoll, H; Dolg, M

Comment on Atomization energies and enthalpies of formation of the SnBin (n=1-3) gaseous molecules by Knudsen cell mass spectrometry [J. Chem. Phys. 116, 6957 (2002)]

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2003-03-08

PREAI

Figgen, D; Müller, W; Schweizer, M; Stoll, H; Peterson, KA

研究方向